ethyl 4-{[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8013-5110 |
| Compound Name: | ethyl 4-{[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 463.39 |
| Molecular Formula: | C21 H23 Br N2 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCC(CC1)(c1ccc(cc1)[Br])O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.851 |
| logD: | 4.851 |
| logSw: | -4.3054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.724 |
| InChI Key: | KHRBQYQMYRUDQC-UHFFFAOYSA-N |