butyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
Chemical Structure Depiction of
butyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
butyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate
Compound characteristics
| Compound ID: | 4384-0768 |
| Compound Name: | butyl 4-(5-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-furyl)benzoate |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C28 H23 N3 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.84 |
| logD: | 7.82 |
| logSw: | -7.24 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.71 |
| InChI Key: | XORGUPSOUXWQEU-UHFFFAOYSA-N |