6-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y508-8598 |
| Compound Name: | 6-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H21 N O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(C1CC=CCC1C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.891 |
| logD: | -0.5288 |
| logSw: | -3.2424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.478 |
| InChI Key: | DGZXNXCAKMCXGV-UHFFFAOYSA-N |