3-oxo-2-(2-phenoxyethyl)-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
3-oxo-2-(2-phenoxyethyl)-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
3-oxo-2-(2-phenoxyethyl)-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: | S906-0162 |
| Compound Name: | 3-oxo-2-(2-phenoxyethyl)-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: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | C1CC2=NN(CCOc3ccccc3)C(N2CCC1C(NCCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.042 |
| logD: | 3.042 |
| logSw: | -3.1888 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.185 |
| InChI Key: | QCVILPSZFGKGLQ-KRWDZBQOSA-N |