
 BDBM50349302

 42 45  0  0  0  0  0  0  0  0999 V2000
    1.3257   -0.1204   -0.3122 C   0  0  0  0  0
    2.6526   -0.1904    0.4019 C   0  0  0  0  0
    3.0185   -1.2454    0.9186 O   0  0  0  0  0
    3.4046    0.9742    0.4612 N   0  0  0  0  0
    4.7462    0.9095    1.0606 C   0  0  0  0  0
    5.0264    2.1321    1.9344 C   0  0  0  0  0
    4.6349    3.3523    1.2704 N   0  0  0  0  0
    3.6850    3.3977    0.2664 C   0  0  0  0  0
    3.4041    4.6863    0.0202 C   0  0  0  0  0
    4.1301    5.4924    0.8679 N   0  0  0  0  0
    4.9335    4.6611    1.7031 C   0  0  0  0  0
    5.6867    4.9903    2.6025 O   0  0  0  0  0
    4.0324    6.9129    0.9556 C   0  0  0  0  0
    2.7339    7.5742    1.3371 C   0  0  0  0  0
    3.9018    7.6310    2.2888 C   0  0  0  0  0
    4.5977    8.9510    2.5224 C   0  0  0  0  0
    3.8885   10.0707    2.9900 C   0  0  0  0  0
    4.5231   11.2941    3.2173 C   0  0  0  0  0
    5.8893   11.4210    2.9861 C   0  0  0  0  0
    6.6186   10.3236    2.5368 C   0  0  0  0  0
    5.9782    9.1011    2.3146 C   0  0  0  0  0
    2.5326    5.1725   -0.8992 O   0  0  0  0  0
    3.1132    2.1658   -0.3506 C   0  0  0  0  0
    0.6615    0.5814    0.1992 H   0  0  0  0  0
    0.8546   -1.1083   -0.2974 H   0  0  0  0  0
    1.4672    0.1711   -1.3560 H   0  0  0  0  0
    5.4609    0.8625    0.2300 H   0  0  0  0  0
    4.8753   -0.0005    1.6550 H   0  0  0  0  0
    6.0840    2.1934    2.2119 H   0  0  0  0  0
    4.4456    2.0759    2.8636 H   0  0  0  0  0
    4.6332    7.4081    0.1961 H   0  0  0  0  0
    1.8943    6.9530    1.6295 H   0  0  0  0  0
    2.4512    8.4744    0.8032 H   0  0  0  0  0
    3.8316    6.9964    3.1709 H   0  0  0  0  0
    2.8214    9.9857    3.1857 H   0  0  0  0  0
    3.9502   12.1432    3.5802 H   0  0  0  0  0
    6.3865   12.3704    3.1647 H   0  0  0  0  0
    7.6881   10.4135    2.3666 H   0  0  0  0  0
    6.5670    8.2478    1.9820 H   0  0  0  0  0
    2.6046    6.1399   -0.8607 H   0  0  0  0  0
    2.0349    2.2823   -0.4849 H   0  0  0  0  0
    3.5648    1.9955   -1.3346 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
BDBM50349302

>  <PubChem CID>
91930678

>  <Formula>
C17H19N3O3

>  <Molecular Weight>
313.357000

>  <IUPAC Name>
7-acetyl-1-hydroxy-2-[(1S,2R)-2-phenylcyclopropyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1CCN2C(=C(N(C2=O)C3CC3C4=CC=CC=C4)O)C1

>  <Isomeric SMILES>
CC(=O)N1CCN2C(=C(N(C2=O)[C@H]3C[C@@H]3C4=CC=CC=C4)O)C1

>  <InChI Std. ID>
InChI=1S/C17H19N3O3/c1-11(21)18-7-8-19-15(10-18)16(22)20(17(19)23)14-9-13(14)12-5-3-2-4-6-12/h2-6,13-14,22H,7-10H2,1H3/t13-,14+/m1/s1

>  <InChI Key>
CGFKBJNFFOTLBQ-KGLIPLIRSA-N

