6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-9652 |
| Compound Name: | 6-{[4-(methoxycarbonyl)phenyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | CC1CC(C(CC=1C)C(Nc1ccc(cc1)C(=O)OC)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5838 |
| logD: | 0.2279 |
| logSw: | -3.1572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.104 |
| InChI Key: | OEEOUGAJCMQEHT-UHFFFAOYSA-N |