3-(2-nitrophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(2-nitrophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(2-nitrophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0711 |
| Compound Name: | 3-(2-nitrophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C21 H11 N3 O4 S |
| Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O)/c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.55 |
| logD: | 4.55 |
| logSw: | -4.7558 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.759 |
| InChI Key: | FTJPTTYNINTLHQ-UHFFFAOYSA-N |