ethyl 4-{[4-(3-methoxyanilino)piperidine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(3-methoxyanilino)piperidine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(3-methoxyanilino)piperidine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8017-9010 |
| Compound Name: | ethyl 4-{[4-(3-methoxyanilino)piperidine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCC(CC1)Nc1cccc(c1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8267 |
| logD: | 4.8232 |
| logSw: | -4.578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.202 |
| InChI Key: | ARHLJQFWANJUHO-UHFFFAOYSA-N |