ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl]carbamothioyl}amino)benzoate
ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8016-1525 |
| Compound Name: | ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 364.51 |
| Molecular Formula: | C18 H28 N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCCN1CCN(C)CC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0453 |
| logD: | 1.031 |
| logSw: | -2.7121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.437 |
| InChI Key: | OPNOAETZXJHYCP-UHFFFAOYSA-N |