3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
Chemical Structure Depiction of
3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide
Compound characteristics
| Compound ID: | S638-0618 |
| Compound Name: | 3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)propanamide |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C18 H22 N6 O2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(CCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3745 |
| logD: | 1.3617 |
| logSw: | -1.6093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.481 |
| InChI Key: | YUTHGVVNXDVMRY-GFCCVEGCSA-N |