7-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-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-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0205 |
| Compound Name: | 7-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 360.8 |
| Molecular Formula: | C16 H17 Cl N6 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(CCc1nc2cc(ccc2[nH]1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.609 |
| logD: | 1.535 |
| logSw: | -2.6202 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.327 |
| InChI Key: | XJORCVJASKOFII-UHFFFAOYSA-N |