6-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y509-0586 |
| Compound Name: | 6-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C23 H25 N O5 S |
| Smiles: | CCOC(c1c(csc1NC(C1CC=CCC1C(O)=O)=O)c1ccc(C)c(C)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7998 |
| logD: | 2.4439 |
| logSw: | -4.4638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.206 |
| InChI Key: | VRDMGVKMBHCNRY-UHFFFAOYSA-N |