N-{2-[ethyl(phenyl)amino]ethyl}-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-{2-[ethyl(phenyl)amino]ethyl}-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-{2-[ethyl(phenyl)amino]ethyl}-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0519 |
| Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C24 H30 N6 O2 |
| Smiles: | CCN(CCNC(C1CCC2=NN(Cc3ccncc3)C(N2CC1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0125 |
| logD: | 2.0082 |
| logSw: | -2.0575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.189 |
| InChI Key: | YTTRADRVPPIIKP-HXUWFJFHSA-N |