N-[(2-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | S911-0236 |
| Compound Name: | N-[(2-chlorophenyl)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: | 425.92 |
| Molecular Formula: | C22 H24 Cl N5 O2 |
| Smiles: | C1CC2=NN(Cc3cccnc3)C(N2CCC1CC(NCc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8668 |
| logD: | 2.8664 |
| logSw: | -3.3377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.234 |
| InChI Key: | SRYJJKQVLANDII-INIZCTEOSA-N |