4-bromo-2-(piperidine-1-carbothioyl)phenyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
4-bromo-2-(piperidine-1-carbothioyl)phenyl 3,4,5-trimethoxybenzoate
4-bromo-2-(piperidine-1-carbothioyl)phenyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 3405-0110 |
| Compound Name: | 4-bromo-2-(piperidine-1-carbothioyl)phenyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 494.4 |
| Molecular Formula: | C22 H24 Br N O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1ccc(cc1C(N1CCCCC1)=S)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.753 |
| logD: | 4.753 |
| logSw: | -4.5735 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 45.629 |
| InChI Key: | RFJBSTFMHFILTR-UHFFFAOYSA-N |