N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6228-0895 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H26 F3 N3 O S |
| Smiles: | C1CCc2c(CC1)nc(nc2C(F)(F)F)SCC(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7669 |
| logD: | 4.7669 |
| logSw: | -4.4538 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.288 |
| InChI Key: | QJNDWAGIQQZMQI-UHFFFAOYSA-N |