4-({[(2-chlorophenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(2-chlorophenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(2-chlorophenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4549 |
| Compound Name: | 4-({[(2-chlorophenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 431 |
| Molecular Formula: | C23 H27 Cl N2 O2 S |
| Smiles: | Cc1ccccc1CN(CC1CCC(CC1)C(O)=O)C(Nc1ccccc1[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.8329 |
| logD: | 3.2726 |
| logSw: | -5.4679 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.33 |
| InChI Key: | HWHBWOTZBIRZOA-UHFFFAOYSA-N |