methyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
methyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | 4384-0063 |
| Compound Name: | methyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C25 H17 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.34 |
| logD: | 6.33 |
| logSw: | -7.18 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.6 |
| InChI Key: | SRGMXHQBIUWRDP-UHFFFAOYSA-N |