[7-{[4-(methanesulfonyl)phenyl]acetyl}-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
Chemical Structure Depiction of
[7-{[4-(methanesulfonyl)phenyl]acetyl}-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
[7-{[4-(methanesulfonyl)phenyl]acetyl}-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile
Compound characteristics
| Compound ID: | S636-2553 |
| Compound Name: | [7-{[4-(methanesulfonyl)phenyl]acetyl}-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl]acetonitrile |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C17 H19 N5 O4 S |
| Smiles: | CS(c1ccc(CC(N2CCC3=NN(CC#N)C(N3CC2)=O)=O)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4559 |
| logD: | -0.4559 |
| logSw: | -2.0097 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.935 |
| InChI Key: | GSXWUSLRNMBGIS-UHFFFAOYSA-N |