2-ethyl-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
2-ethyl-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
2-ethyl-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0324 |
| Compound Name: | 2-ethyl-3-oxo-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C16 H22 N4 O2 S |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(NCCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6968 |
| logD: | 1.6967 |
| logSw: | -2.2701 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.785 |
| InChI Key: | GXCOKYXTFUTKQQ-LBPRGKRZSA-N |