[4-(3-chlorophenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone
Chemical Structure Depiction of
[4-(3-chlorophenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone
[4-(3-chlorophenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone
Compound characteristics
| Compound ID: | K297-0990 |
| Compound Name: | [4-(3-chlorophenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone |
| Molecular Weight: | 496.07 |
| Molecular Formula: | C26 H30 Cl N5 O S |
| Smiles: | C1CC(CCC1CNC1c2ccccc2NC(N=1)=S)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8849 |
| logD: | 4.3372 |
| logSw: | -4.9211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.163 |
| InChI Key: | DYFPTTHGMZGFDH-UHFFFAOYSA-N |