2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid
Chemical Structure Depiction of
2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid
2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid
Compound characteristics
| Compound ID: | 4312-0639 |
| Compound Name: | 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}benzoic acid |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C17 H17 N O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(c1ccccc1C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9361 |
| logD: | -1.8998 |
| logSw: | -3.4146 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.286 |
| InChI Key: | PAVWTDUNYDCQOC-UHFFFAOYSA-N |