
 CHEMBL2035509

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.0328    2.3300    2.4862 C   0  0  0  0  0
    3.2317    1.7721    1.7685 C   0  0  0  0  0
    3.9212    0.6420    2.2525 C   0  0  0  0  0
    5.0318    0.1572    1.5406 C   0  0  0  0  0
    5.4462    0.7655    0.3499 C   0  0  0  0  0
    4.7477    1.8735   -0.1332 C   0  0  0  0  0
    3.6497    2.3710    0.5699 C   0  0  0  0  0
    6.5966    0.2416   -0.3886 C   0  0  0  0  0
    7.8515    0.6193   -0.1125 C   0  0  0  0  0
    8.9496    0.0621   -0.8688 C   0  0  0  0  0
    8.7679   -0.8294   -1.8668 C   0  0  0  0  0
    7.3425   -1.1658   -2.2158 C   0  0  0  0  0
    7.0471   -1.8570   -3.1843 O   0  0  0  0  0
    6.3657   -0.6396   -1.4097 N   0  0  0  0  0
    9.8857   -1.4756   -2.6727 C   0  0  0  0  0
    9.5144   -2.8312   -3.2725 C   0  0  0  0  0
    9.2989   -3.8707   -2.6661 O   0  0  0  0  0
    9.5099   -2.6927   -4.6157 N   0  0  0  0  0
    9.7848   -1.4306   -4.9695 C   0  0  0  0  0
    9.8313   -1.0082   -6.1139 O   0  0  0  0  0
   10.0491   -0.6729   -3.8706 O   0  0  0  0  0
   11.2826   -1.5739   -1.9656 C   0  0  0  0  0
   11.2559   -2.3620   -0.6471 C   0  0  0  0  0
   12.3859   -2.1607   -2.8647 C   0  0  0  0  0
    3.5102   -0.0434    3.5271 C   0  0  0  0  0
    2.2521    2.4795    3.5481 H   0  0  0  0  0
    1.1820    1.6495    2.3813 H   0  0  0  0  0
    1.7401    3.3037    2.0788 H   0  0  0  0  0
    5.5753   -0.7099    1.9127 H   0  0  0  0  0
    5.0527    2.3561   -1.0591 H   0  0  0  0  0
    3.1196    3.2345    0.1732 H   0  0  0  0  0
    8.0750    1.3321    0.6758 H   0  0  0  0  0
    9.9376    0.4045   -0.5777 H   0  0  0  0  0
    5.4127   -0.8928   -1.6417 H   0  0  0  0  0
    9.2500   -3.4142   -5.2642 H   0  0  0  0  0
   11.6161   -0.5520   -1.7396 H   0  0  0  0  0
   10.9702   -3.4064   -0.8017 H   0  0  0  0  0
   10.5651   -1.9289    0.0805 H   0  0  0  0  0
   12.2484   -2.3615   -0.1825 H   0  0  0  0  0
   12.1942   -3.2103   -3.1109 H   0  0  0  0  0
   13.3555   -2.1174   -2.3557 H   0  0  0  0  0
   12.4858   -1.5986   -3.7978 H   0  0  0  0  0
    4.0548   -0.9827    3.6713 H   0  0  0  0  0
    2.4438   -0.2893    3.5052 H   0  0  0  0  0
    3.7189    0.6019    4.3861 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 14  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 34  1  0  0  0
 15 21  1  0  0  0
 15 16  1  0  0  0
 15 22  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 23 37  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2035509

>  <PubChem CID>
49850348

>  <Formula>
C19H20N2O4

>  <Molecular Weight>
340.379000

>  <IUPAC Name>
5-[6-(3,4-dimethylphenyl)-2-oxo-1H-pyridin-3-yl]-5-propan-2-yl-1,3-oxazolidine-2,4-dione

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C2=CC=C(C(=O)N2)C3(C(=O)NC(=O)O3)C(C)C)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C2=CC=C(C(=O)N2)C3(C(=O)NC(=O)O3)C(C)C)C

>  <InChI Std. ID>
InChI=1S/C19H20N2O4/c1-10(2)19(17(23)21-18(24)25-19)14-7-8-15(20-16(14)22)13-6-5-11(3)12(4)9-13/h5-10H,1-4H3,(H,20,22)(H,21,23,24)

>  <InChI Key>
LGHLQZNFGUFOSJ-UHFFFAOYSA-N

