3-(3-nitrophenyl)-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-nitrophenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(3-nitrophenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0725 |
| Compound Name: | 3-(3-nitrophenyl)-2-[4-(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C25 H13 N3 O4 S |
| Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2c(ccc3ccccc23)OC1=O)/c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8176 |
| logD: | 5.8176 |
| logSw: | -7.2423 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.789 |
| InChI Key: | WDQRJAGWNRJSTK-UHFFFAOYSA-N |