6-tert-butyl-2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Chemical Structure Depiction of
6-tert-butyl-2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
6-tert-butyl-2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Compound characteristics
| Compound ID: | 8013-1512 |
| Compound Name: | 6-tert-butyl-2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H30 F3 N3 S |
| Smiles: | CC(C)(C)C1CCc2c(C1)c(C(F)(F)F)nc(n2)SCC1c2ccccc2CC(C)(C)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0955 |
| logD: | 6.9862 |
| logSw: | -6.0235 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.2278 |
| InChI Key: | NXJCNJIFUFTABE-MRXNPFEDSA-N |