N-[(2-chloro-4-fluorophenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
N-[(2-chloro-4-fluorophenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Compound characteristics
| Compound ID: | C267-0456 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea |
| Molecular Weight: | 458 |
| Molecular Formula: | C23 H25 Cl F N5 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(NCc1ccc(cc1[Cl])F)=S)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4646 |
| logD: | 4.8946 |
| logSw: | -6.061 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.106 |
| InChI Key: | MZILDFRJECAUMB-UHFFFAOYSA-N |