6-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y502-9994 |
| Compound Name: | 6-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C26 H31 N O5 S |
| Smiles: | CCOC(c1c(c2ccc(cc2)C(C)(C)C)c(C)sc1NC(C1CC=CCC1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0579 |
| logD: | 3.7021 |
| logSw: | -5.4932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.206 |
| InChI Key: | VOHSMKCPQCVCFX-UHFFFAOYSA-N |