4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4727 |
| Compound Name: | 4-({[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C26 H27 Cl N2 O5 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(c(c1)OC)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.819 |
| logD: | 2.8476 |
| logSw: | -5.649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.029 |
| InChI Key: | YYLXAMUXTCVXFX-UHFFFAOYSA-N |