7-(benzenesulfonyl)-2-benzyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(benzenesulfonyl)-2-benzyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(benzenesulfonyl)-2-benzyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3271 |
| Compound Name: | 7-(benzenesulfonyl)-2-benzyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C19 H20 N4 O3 S |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6469 |
| logD: | 2.6469 |
| logSw: | -2.8943 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.035 |
| InChI Key: | QVKGKCSXCKNPSC-UHFFFAOYSA-N |