N-[2-(diethylamino)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-(diethylamino)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-(diethylamino)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: | S911-0227 |
| Compound Name: | N-[2-(diethylamino)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: | 400.52 |
| Molecular Formula: | C21 H32 N6 O2 |
| Smiles: | CCN(CC)CCNC(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1422 |
| logD: | -0.7048 |
| logSw: | -1.3189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.758 |
| InChI Key: | DUIMDKQLEWAPFF-QGZVFWFLSA-N |