3,4-dimethyl-6-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
3,4-dimethyl-6-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
3,4-dimethyl-6-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | 8012-6350 |
| Compound Name: | 3,4-dimethyl-6-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C18 H24 N2 O5 S |
| Smiles: | CC1CC(C(CC=1C)C(NCCc1ccc(cc1)S(N)(=O)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5032 |
| logD: | -1.8527 |
| logSw: | -2.187 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.697 |
| InChI Key: | PMISDFYVNFJYPP-UHFFFAOYSA-N |