6-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y204-5160 |
| Compound Name: | 6-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C20 H18 N2 O3 S |
| Smiles: | Cc1c(c2ccccc2)c(C#N)c(NC(C2CC=CCC2C(O)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.696 |
| logD: | 1.3402 |
| logSw: | -4.2189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.509 |
| InChI Key: | JEISVYDKXAUSCZ-UHFFFAOYSA-N |