4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
Chemical Structure Depiction of
4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
Compound characteristics
| Compound ID: | 3405-0105 |
| Compound Name: | 4-bromo-2-(piperidine-1-carbothioyl)phenyl 3-(3,4-dimethoxyphenyl)prop-2-enoate |
| Molecular Weight: | 490.42 |
| Molecular Formula: | C23 H24 Br N O4 S |
| Smiles: | COc1ccc(/C=C/C(=O)Oc2ccc(cc2C(N2CCCCC2)=S)[Br])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4581 |
| logD: | 5.4581 |
| logSw: | -5.3706 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 37.317 |
| InChI Key: | JLQRVBNETXNWQD-UHFFFAOYSA-N |