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-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
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-[(thiophen-2-yl)methyl]acetamide
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-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | S911-0245 |
| Compound Name: | 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-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | C1CC2=NN(Cc3cccnc3)C(N2CCC1CC(NCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0598 |
| logD: | 2.0594 |
| logSw: | -2.1589 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.252 |
| InChI Key: | JAOIXCTZDCTBPG-HNNXBMFYSA-N |