2-(5-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3754-2142 |
| Compound Name: | 2-(5-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C26 H21 N O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C/c2ccc(c3ccccc3C(O)=O)o2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5415 |
| logD: | 1.4886 |
| logSw: | -5.2684 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.639 |
| InChI Key: | HTJSHKHRSFPCAW-UHFFFAOYSA-N |