N-methyl-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}-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
N-methyl-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}-N-[(pyridin-3-yl)methyl]acetamide
N-methyl-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}-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | S911-0244 |
| Compound Name: | N-methyl-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}-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | CN(Cc1cccnc1)C(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.487 |
| logD: | 1.4865 |
| logSw: | -0.9977 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.175 |
| InChI Key: | BXPAYOVARRIQFE-QGZVFWFLSA-N |