ethyl 4-[({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate
ethyl 4-[({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | C270-0205 |
| Compound Name: | ethyl 4-[({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 447 |
| Molecular Formula: | C22 H27 Cl N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCN1CCN(CC1)c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.323 |
| logD: | 3.2491 |
| logSw: | -4.3493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.221 |
| InChI Key: | YZGNBTGCNHFFTA-UHFFFAOYSA-N |