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-[2-(thiophen-2-yl)ethyl]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-[2-(thiophen-2-yl)ethyl]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-[2-(thiophen-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | S911-0240 |
| 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-[2-(thiophen-2-yl)ethyl]acetamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | C1CC2=NN(Cc3cccnc3)C(N2CCC1CC(NCCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8185 |
| logD: | 1.8182 |
| logSw: | -2.0249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.093 |
| InChI Key: | SSRSCDCRHYKJPO-INIZCTEOSA-N |