2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethan-1-one
2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6466-0201 |
| Compound Name: | 2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethan-1-one |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C25 H28 F3 N3 O S |
| Smiles: | CC1(C)CC2CC(C)(C1)CN2C(CSc1nc2c3ccccc3CCc2c(C(F)(F)F)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9374 |
| logD: | 5.9374 |
| logSw: | -5.5641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.619 |
| InChI Key: | CEUKUYNHOGSBNJ-UHFFFAOYSA-N |