4-({[(4-chloro-3-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(4-chloro-3-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(4-chloro-3-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4866 |
| Compound Name: | 4-({[(4-chloro-3-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 465.44 |
| Molecular Formula: | C23 H26 Cl2 N2 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])NC(N(CC1CCC(CC1)C(O)=O)Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.3591 |
| logD: | 3.7988 |
| logSw: | -5.8733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.028 |
| InChI Key: | PTFFDLJZYKQMPG-UHFFFAOYSA-N |