4-({[(3-chloro-4-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(3-chloro-4-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(3-chloro-4-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4545 |
| Compound Name: | 4-({[(3-chloro-4-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 445.02 |
| Molecular Formula: | C24 H29 Cl N2 O2 S |
| Smiles: | Cc1ccccc1CN(CC1CCC(CC1)C(O)=O)C(Nc1ccc(C)c(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.8287 |
| logD: | 4.2684 |
| logSw: | -5.8803 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.028 |
| InChI Key: | PDOUFONUZSSBRS-UHFFFAOYSA-N |