3-(4-methylphenyl)-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-(4-methylphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(4-methylphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0505 |
| Compound Name: | 3-(4-methylphenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C26 H16 N2 O2 S |
| Smiles: | Cc1ccc(\C=C(/C#N)c2nc(cs2)C2=Cc3c(ccc4ccccc34)OC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4327 |
| logD: | 6.4327 |
| logSw: | -6.8484 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.407 |
| InChI Key: | NKFIBRHOTFMPIV-UHFFFAOYSA-N |