N-(3-chloro-4-fluorophenyl)-N'-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}thiourea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}thiourea
N-(3-chloro-4-fluorophenyl)-N'-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}thiourea
Compound characteristics
| Compound ID: | C270-0198 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}thiourea |
| Molecular Weight: | 420.98 |
| Molecular Formula: | C21 H26 Cl F N4 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(Nc2ccc(c(c2)[Cl])F)=S)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9917 |
| logD: | 3.2317 |
| logSw: | -5.1761 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 27.1665 |
| InChI Key: | ZZTLPWFTZOJHEK-UHFFFAOYSA-N |