3-(3-hydroxy-4-methoxyphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(3-hydroxy-4-methoxyphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(3-hydroxy-4-methoxyphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-1093 |
| Compound Name: | 3-(3-hydroxy-4-methoxyphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C26 H16 N2 O4 S |
| Smiles: | COc1ccc(\C=C(/C#N)c2nc(cs2)C2=Cc3c(ccc4ccccc34)OC2=O)cc1O |
| Stereo: | ACHIRAL |
| logP: | 5.3536 |
| logD: | 5.3148 |
| logSw: | -6.3714 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.586 |
| InChI Key: | LTSICFNRYAYYSH-UHFFFAOYSA-N |