(2-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(2-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
(2-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 3730-0158 |
| Compound Name: | (2-{[4-(ethoxycarbonyl)-5-(4-methylanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C23 H21 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C/c2ccccc2OCC(O)=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1201 |
| logD: | 0.8831 |
| logSw: | -4.8311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.087 |
| InChI Key: | LCJSSAROMZUTKQ-UHFFFAOYSA-N |