2-benzyl-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-benzyl-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3272 |
| Compound Name: | 2-benzyl-7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4314 |
| logD: | 2.4314 |
| logSw: | -2.4964 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.929 |
| InChI Key: | WDNCTDAOKTXDMU-UHFFFAOYSA-N |