2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Chemical Structure Depiction of
2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Compound characteristics
| Compound ID: | 8013-1548 |
| Compound Name: | 2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H22 F3 N3 S |
| Smiles: | CC1(C)Cc2ccccc2C(CSc2nc3CCCCc3c(C(F)(F)F)n2)=N1 |
| Stereo: | ACHIRAL |
| logP: | 5.5965 |
| logD: | 5.4872 |
| logSw: | -5.5802 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.2278 |
| InChI Key: | YKNJGKMVPZNLIX-UHFFFAOYSA-N |