(4-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(4-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
(4-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 3730-1000 |
| Compound Name: | (4-{[4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C23 H21 N O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C/c2ccc(cc2)OCC(O)=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2545 |
| logD: | 0.0175 |
| logSw: | -4.1286 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.544 |
| InChI Key: | UIONQUDOAOHTBX-UHFFFAOYSA-N |