ethyl 4-({4-[cycloheptyl(methyl)amino]piperidine-1-carbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[cycloheptyl(methyl)amino]piperidine-1-carbothioyl}amino)benzoate
ethyl 4-({4-[cycloheptyl(methyl)amino]piperidine-1-carbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | K788-7617 |
| Compound Name: | ethyl 4-({4-[cycloheptyl(methyl)amino]piperidine-1-carbothioyl}amino)benzoate |
| Molecular Weight: | 417.61 |
| Molecular Formula: | C23 H35 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCC(CC1)N(C)C1CCCCCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7813 |
| logD: | 2.9343 |
| logSw: | -5.3293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.869 |
| InChI Key: | QWEXWSBNLSUSMT-UHFFFAOYSA-N |