(4-{[4-(ethoxycarbonyl)-5-(4-methylbenzamido)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(4-{[4-(ethoxycarbonyl)-5-(4-methylbenzamido)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
(4-{[4-(ethoxycarbonyl)-5-(4-methylbenzamido)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 5648-3129 |
| Compound Name: | (4-{[4-(ethoxycarbonyl)-5-(4-methylbenzamido)-3-oxothiophen-2(3H)-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C24 H21 N O7 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2ccc(cc2)OCC(O)=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9749 |
| logD: | -0.2621 |
| logSw: | -3.9635 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.179 |
| InChI Key: | XWRRRDVHIVTLDJ-UHFFFAOYSA-N |