ethyl 4-({[3-(4-ethylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[3-(4-ethylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[3-(4-ethylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0114 |
| Compound Name: | ethyl 4-({[3-(4-ethylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 474.69 |
| Molecular Formula: | C24 H34 N4 O2 S2 |
| Smiles: | CCN1CCN(CCCN(Cc2cccs2)C(Nc2ccc(cc2)C(=O)OCC)=S)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4157 |
| logD: | 3.4675 |
| logSw: | -3.8512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.698 |
| InChI Key: | UDFMQZYEQSHYMP-UHFFFAOYSA-N |