N-(3-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-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-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: | S911-0221 |
| Compound Name: | N-(3-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: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | COc1cccc(c1)NC(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5355 |
| logD: | 2.5348 |
| logSw: | -2.4528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.455 |
| InChI Key: | HONVFCDLEIXCSB-MRXNPFEDSA-N |