1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-9170 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 542.67 |
| Molecular Formula: | C29 H33 F3 N4 O S |
| Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6044 |
| logD: | 6.5786 |
| logSw: | -6.1418 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.885 |
| InChI Key: | KTDVPYJNXXCJQB-UHFFFAOYSA-N |