ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0107 |
| Compound Name: | ethyl 4-({[3-(4-methylpiperazin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 460.66 |
| Molecular Formula: | C23 H32 N4 O2 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCCN1CCN(C)CC1)Cc1cccs1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0709 |
| logD: | 3.2562 |
| logSw: | -3.8463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.638 |
| InChI Key: | VRUORVQUYIRXRE-UHFFFAOYSA-N |