1-(azepan-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7213-0159 |
| Compound Name: | 1-(azepan-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H22 F3 N3 O S |
| Smiles: | C1CCCN(CC1)C(CSc1nc2c3ccccc3CCc2c(C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2086 |
| logD: | 5.2086 |
| logSw: | -5.1918 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.264 |
| InChI Key: | NUWWQRNISPETQP-UHFFFAOYSA-N |