ethyl 4-({[2-(azepan-1-yl)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-(azepan-1-yl)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-(azepan-1-yl)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0111 |
| Compound Name: | ethyl 4-({[2-(azepan-1-yl)ethyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 445.65 |
| Molecular Formula: | C23 H31 N3 O2 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCN1CCCCCC1)Cc1cccs1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4864 |
| logD: | 2.6694 |
| logSw: | -5.2067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.492 |
| InChI Key: | WOHOGLPEASMZAT-UHFFFAOYSA-N |