1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0212 |
| Compound Name: | 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 530.54 |
| Molecular Formula: | C26 H22 F4 N4 O2 S |
| Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(N1CCN(CC1)C(c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5426 |
| logD: | 4.5426 |
| logSw: | -4.4987 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.389 |
| InChI Key: | TXHAFJXXEOINOX-UHFFFAOYSA-N |