4-({[(3-chloro-4-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3-chloro-4-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
4-({[(3-chloro-4-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4152 |
| Compound Name: | 4-({[(3-chloro-4-methylphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid |
| Molecular Weight: | 459.39 |
| Molecular Formula: | C23 H20 Cl2 N2 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.9364 |
| logD: | 3.9649 |
| logSw: | -6.0277 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.836 |
| InChI Key: | HCUHEIDMWDTNRV-UHFFFAOYSA-N |