ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate
ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | C270-0171 |
| Compound Name: | ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C23 H29 F N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCCN1CCN(CC1)c1ccc(cc1)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0132 |
| logD: | 3.5698 |
| logSw: | -3.9098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.221 |
| InChI Key: | WGDZZDMBNRNQHG-UHFFFAOYSA-N |