3-(1H-benzimidazol-2-yl)-N-methyl-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-methyl-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-methyl-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: | S638-2220 |
| Compound Name: | 3-(1H-benzimidazol-2-yl)-N-methyl-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: | 368.44 |
| Molecular Formula: | C19 H24 N6 O2 |
| Smiles: | CN(C1CCC2=NN(C)C(N2CC1)=O)C(CCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5886 |
| logD: | 1.521 |
| logSw: | -1.6622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.231 |
| InChI Key: | AYVQKCAAUKATBR-ZDUSSCGKSA-N |