4-[([(2-methylphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[([(2-methylphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
4-[([(2-methylphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4887 |
| Compound Name: | 4-[([(2-methylphenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 442.64 |
| Molecular Formula: | C24 H30 N2 O2 S2 |
| Smiles: | Cc1ccccc1CN(CC1CCC(CC1)C(O)=O)C(Nc1cccc(c1)SC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8995 |
| logD: | 3.3391 |
| logSw: | -5.3689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.028 |
| InChI Key: | CRXBALGPISRZEI-UHFFFAOYSA-N |