6-[(2-sulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(2-sulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(2-sulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 6415-0618 |
| Compound Name: | 6-[(2-sulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 277.34 |
| Molecular Formula: | C14 H15 N O3 S |
| Smiles: | C1C=CCC(C1C(O)=O)C(Nc1ccccc1S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2975 |
| logD: | -0.0583 |
| logSw: | -2.8828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 51.232 |
| InChI Key: | ZZRLYDIBYPLNPB-UHFFFAOYSA-N |