4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4891 |
| Compound Name: | 4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 461.02 |
| Molecular Formula: | C24 H29 Cl N2 O3 S |
| Smiles: | Cc1ccccc1CN(CC1CCC(CC1)C(O)=O)C(Nc1ccc(c(c1)[Cl])OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.9491 |
| logD: | 3.3888 |
| logSw: | -5.6296 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.659 |
| InChI Key: | GHPOVVYZFAFSRG-UHFFFAOYSA-N |