1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0195 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C26 H25 F3 N4 O S |
| Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.029 |
| logD: | 5.0192 |
| logSw: | -4.8671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.474 |
| InChI Key: | NODDDPXBYRSOJC-UHFFFAOYSA-N |