1-(2,6-dimethyloctahydroquinolin-1(2H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,6-dimethyloctahydroquinolin-1(2H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
1-(2,6-dimethyloctahydroquinolin-1(2H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0225 |
| Compound Name: | 1-(2,6-dimethyloctahydroquinolin-1(2H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H30 F3 N3 O S |
| Smiles: | CC1CCC2C(CCC(C)N2C(CSc2nc3c4ccccc4CCc3c(C(F)(F)F)n2)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0291 |
| logD: | 7.0291 |
| logSw: | -5.7599 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.082 |
| InChI Key: | BDLZVHHBUDLPDL-UHFFFAOYSA-N |