6-[(3,4-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(3,4-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(3,4-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-1892 |
| Compound Name: | 6-[(3,4-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C16 H19 N O3 |
| Smiles: | Cc1ccc(cc1C)NC(C1CC=CCC1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.11 |
| logD: | 0.7542 |
| logSw: | -3.0624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.93 |
| InChI Key: | ALDOTQLTSDBMCJ-UHFFFAOYSA-N |