(4-{[5-anilino-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(4-{[5-anilino-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
(4-{[5-anilino-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 5648-3100 |
| Compound Name: | (4-{[5-anilino-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C22 H19 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc(cc2)OCC(O)=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0804 |
| logD: | -0.1566 |
| logSw: | -4.0034 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78 |
| InChI Key: | UFURPWNLLMXLNI-UHFFFAOYSA-N |