2-{[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-2408 |
| Compound Name: | 2-{[6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 374.38 |
| Molecular Formula: | C16 H17 F3 N2 O3 S |
| Smiles: | CC1CCc2c(C1)c(C(F)(F)F)nc(n2)SC1CC(C2OCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3944 |
| logD: | 3.3944 |
| logSw: | -3.7505 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.503 |
| InChI Key: | HNXFHWAPCAKKHP-UHFFFAOYSA-N |