1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7213-0173 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C24 H20 F3 N3 O S |
| Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6703 |
| logD: | 5.6703 |
| logSw: | -5.7861 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.595 |
| InChI Key: | JKRMSDIVAZHLJO-UHFFFAOYSA-N |