6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y202-7295 |
| Compound Name: | 6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1c(c2ccc(cc2)OC)c(C#N)c(NC(C2CC=CCC2C(O)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7835 |
| logD: | 1.4276 |
| logSw: | -4.3054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.053 |
| InChI Key: | RZEIRNPXDMZOMK-UHFFFAOYSA-N |