6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y502-9995 |
| Compound Name: | 6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 433.91 |
| Molecular Formula: | C21 H20 Cl N O5 S |
| Smiles: | CCOC(c1c(csc1NC(C1CC=CCC1C(O)=O)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4704 |
| logD: | 2.1146 |
| logSw: | -4.6856 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.206 |
| InChI Key: | XAUIXWCNZPPPRM-UHFFFAOYSA-N |