methyl (4-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}phenyl)acetate
Chemical Structure Depiction of
methyl (4-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}phenyl)acetate
methyl (4-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | Y600-1132 |
| Compound Name: | methyl (4-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}phenyl)acetate |
| Molecular Weight: | 417.96 |
| Molecular Formula: | C21 H24 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(Nc1ccc(CC(=O)OC)cc1)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7466 |
| logD: | 4.7464 |
| logSw: | -4.7788 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.675 |
| InChI Key: | DBYBMKZBIDYVCC-UHFFFAOYSA-N |