(4-{[5-(4-chloroanilino)-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(4-{[5-(4-chloroanilino)-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
(4-{[5-(4-chloroanilino)-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 5648-1454 |
| Compound Name: | (4-{[5-(4-chloroanilino)-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 459.9 |
| Molecular Formula: | C22 H18 Cl N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C/c2ccc(cc2)OCC(O)=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8668 |
| logD: | 0.6299 |
| logSw: | -4.7736 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78 |
| InChI Key: | FXHFRBKFLUWUBY-UHFFFAOYSA-N |