N-{2-[ethyl(phenyl)amino]ethyl}-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-[ethyl(phenyl)amino]ethyl}-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-[ethyl(phenyl)amino]ethyl}-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: | S911-0291 |
| Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-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: | 448.57 |
| Molecular Formula: | C25 H32 N6 O2 |
| Smiles: | CCN(CCNC(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3227 |
| logD: | 2.3192 |
| logSw: | -2.2553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.065 |
| InChI Key: | AWEUBTNOSZDHLT-HXUWFJFHSA-N |