ethyl 4-[({3-[butyl(methyl)amino]propyl}[(thiophen-2-yl)methyl]carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({3-[butyl(methyl)amino]propyl}[(thiophen-2-yl)methyl]carbamothioyl)amino]benzoate
ethyl 4-[({3-[butyl(methyl)amino]propyl}[(thiophen-2-yl)methyl]carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | C087-0118 |
| Compound Name: | ethyl 4-[({3-[butyl(methyl)amino]propyl}[(thiophen-2-yl)methyl]carbamothioyl)amino]benzoate |
| Molecular Weight: | 447.66 |
| Molecular Formula: | C23 H33 N3 O2 S2 |
| Smiles: | CCCCN(C)CCCN(Cc1cccs1)C(Nc1ccc(cc1)C(=O)OCC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6565 |
| logD: | 3.651 |
| logSw: | -5.2726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.522 |
| InChI Key: | ZUUFNRWZJDPGTN-UHFFFAOYSA-N |