7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-(cyclopropylmethyl)-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-(1H-benzimidazol-2-yl)propanoyl]-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1718 |
| Compound Name: | 7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(CCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.894 |
| logD: | 1.8264 |
| logSw: | -2.1538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.249 |
| InChI Key: | BCQIMKKJBPUMJV-UHFFFAOYSA-N |