2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 3453-2325 |
| Compound Name: | 2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | Cc1ccc(Cc2cnc(NC(C(=C/c3ccc(c4ccc(cc4)[N+]([O-])=O)o3)\C#N)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5323 |
| logD: | 6.0081 |
| logSw: | -5.4983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.634 |
| InChI Key: | AHFUKBBKJQDPIW-UHFFFAOYSA-N |