(4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
(4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | K297-0989 |
| Compound Name: | (4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 529.63 |
| Molecular Formula: | C27 H30 F3 N5 O S |
| Smiles: | C1CC(CCC1CNC1c2ccccc2NC(N=1)=S)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.102 |
| logD: | 4.5543 |
| logSw: | -5.194 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.163 |
| InChI Key: | KRSUMALYZDTIKB-UHFFFAOYSA-N |