3-(3-hydroxy-4-methoxyphenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(3-hydroxy-4-methoxyphenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(3-hydroxy-4-methoxyphenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-1090 |
| Compound Name: | 3-(3-hydroxy-4-methoxyphenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C19 H13 N3 O4 S |
| Smiles: | COc1ccc(\C=C(/C#N)c2nc(cs2)c2ccc(cc2)[N+]([O-])=O)cc1O |
| Stereo: | ACHIRAL |
| logP: | 4.7073 |
| logD: | 4.6684 |
| logSw: | -4.3858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.317 |
| InChI Key: | DPEQOEUKNWYDDJ-UHFFFAOYSA-N |