2-benzyl-7-(1H-imidazole-4-sulfonyl)-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-(1H-imidazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(1H-imidazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3283 |
| Compound Name: | 2-benzyl-7-(1H-imidazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C16 H18 N6 O3 S |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)S(c1c[nH]cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0923 |
| logD: | 1.0923 |
| logSw: | -2.3689 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.108 |
| InChI Key: | SOMQIIXPEJHTRG-UHFFFAOYSA-N |