4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4724 |
| Compound Name: | 4-({[(3-chloro-4-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid |
| Molecular Weight: | 501 |
| Molecular Formula: | C25 H25 Cl N2 O5 S |
| Smiles: | COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(Nc2ccc(c(c2)[Cl])OC)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0351 |
| logD: | 2.0636 |
| logSw: | -4.9035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.727 |
| InChI Key: | ZXVTWHRKNAASDB-UHFFFAOYSA-N |