6-{[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8255 |
| Compound Name: | 6-{[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | CCc1c(C(NCc2ccccc2)=O)c(NC(C2CC=CCC2C(O)=O)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8204 |
| logD: | 1.4645 |
| logSw: | -4.2552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.138 |
| InChI Key: | KFTQTTPLRJRESH-UHFFFAOYSA-N |