6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 6049-2763 |
| Compound Name: | 6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C22 H22 Cl N O5 S |
| Smiles: | CCOC(c1c(c2ccc(cc2)[Cl])c(C)sc1NC(C1CC=CCC1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8582 |
| logD: | 2.5023 |
| logSw: | -4.7648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.206 |
| InChI Key: | TTWQQYPSZKALMY-UHFFFAOYSA-N |