N-[(2,5-dimethylphenyl)methyl]-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide
Chemical Structure Depiction of
N-[(2,5-dimethylphenyl)methyl]-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide
N-[(2,5-dimethylphenyl)methyl]-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide
Compound characteristics
| Compound ID: | S911-0269 |
| Compound Name: | N-[(2,5-dimethylphenyl)methyl]-2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}acetamide |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | Cc1ccc(C)c(CNC(CC2CCC3=NN(Cc4cccnc4)C(N3CC2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4001 |
| logD: | 3.3997 |
| logSw: | -3.2033 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.234 |
| InChI Key: | CCQYSXFIOWKHEJ-LJQANCHMSA-N |