4-(5-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3754-1838 |
| Compound Name: | 4-(5-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C26 H21 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5673 |
| logD: | 2.8395 |
| logSw: | -5.6085 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.095 |
| InChI Key: | AORIUDFWAPONGV-UHFFFAOYSA-N |