4-({[(4-chlorophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-chlorophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(4-chlorophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4147 |
| Compound Name: | 4-({[(4-chlorophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 438.98 |
| Molecular Formula: | C24 H23 Cl N2 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.931 |
| logD: | 2.9595 |
| logSw: | -5.8624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.138 |
| InChI Key: | DFYDGBKNKXUZCD-UHFFFAOYSA-N |