4-bromo-2-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
4-bromo-2-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate
4-bromo-2-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 3405-0097 |
| Compound Name: | 4-bromo-2-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C21 H22 Br N O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1ccc(cc1C(N1CCOCC1)=S)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5943 |
| logD: | 3.5943 |
| logSw: | -3.851 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.538 |
| InChI Key: | TXSRUVVXURWMMP-UHFFFAOYSA-N |