methyl 2-{[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino}benzoate
methyl 2-{[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | C200-1643 |
| Compound Name: | methyl 2-{[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)c1ccc(cc1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0335 |
| logD: | 4.0197 |
| logSw: | -4.2297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.417 |
| InChI Key: | CZUZRPHXEPWAIO-UHFFFAOYSA-N |