N-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-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: | S911-0212 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-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: | 441.92 |
| Molecular Formula: | C22 H24 Cl N5 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9797 |
| logD: | 2.974 |
| logSw: | -3.4696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.542 |
| InChI Key: | IWWLWLVTVGOLPR-HNNXBMFYSA-N |