
 SCHEMBL15987910

 71 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL15987910

>  <PubChem CID>
86581454

>  <Formula>
C27H35N5O4

>  <Molecular Weight>
493.608000

>  <IUPAC Name>
N-tert-butyl-2-[4-(3-methoxyphenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-3-yl]acetamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)CCN4CCOCC4

>  <Isomeric SMILES>
CC(C)(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)CCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C27H35N5O4/c1-27(2,3)28-25(33)19-24-29-32(26(34)31(24)22-6-5-7-23(18-22)35-4)21-10-8-20(9-11-21)12-13-30-14-16-36-17-15-30/h5-11,18H,12-17,19H2,1-4H3,(H,28,33)

>  <InChI Key>
AIHMWLQZTFEDRQ-UHFFFAOYSA-N

