4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4728 |
| Compound Name: | 4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(3,4-dimethoxyphenyl)methyl]amino}methyl)benzoic acid |
| Molecular Weight: | 501 |
| Molecular Formula: | C25 H25 Cl N2 O5 S |
| Smiles: | COc1ccc(cc1NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(c(c1)OC)OC)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.121 |
| logD: | 2.1495 |
| logSw: | -5.2928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.029 |
| InChI Key: | MHMSGKYAWOTXAX-UHFFFAOYSA-N |