4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4892 |
| Compound Name: | 4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 475.05 |
| Molecular Formula: | C25 H31 Cl N2 O3 S |
| Smiles: | Cc1ccccc1CN(CC1CCC(CC1)C(O)=O)C(Nc1cc(C)c(cc1OC)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.7331 |
| logD: | 4.1728 |
| logSw: | -5.8336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.961 |
| InChI Key: | DEEKFEBYWSOPPL-UHFFFAOYSA-N |