4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4901 |
| Compound Name: | 4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid |
| Molecular Weight: | 475.39 |
| Molecular Formula: | C23 H20 Cl2 N2 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.0568 |
| logD: | 3.0853 |
| logSw: | -5.7934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.466 |
| InChI Key: | XNADYNRIGIOCJT-UHFFFAOYSA-N |