7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methyl-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-methyl-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-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0767 |
| Compound Name: | 7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C17 H20 N6 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(CCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9553 |
| logD: | 0.8877 |
| logSw: | -1.4673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.677 |
| InChI Key: | LEAWMZPDLZXJPN-UHFFFAOYSA-N |