N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
Compound characteristics
| Compound ID: | S911-0460 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | COCCN1C(N2CCC(CCC2=N1)CC(NCCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4229 |
| logD: | 1.4095 |
| logSw: | -1.948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.431 |
| InChI Key: | GQUASPXRXURHFW-OAHLLOKOSA-N |