4-({[(3,4-dimethoxyphenyl)methyl][(4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3,4-dimethoxyphenyl)methyl][(4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(3,4-dimethoxyphenyl)methyl][(4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4712 |
| Compound Name: | 4-({[(3,4-dimethoxyphenyl)methyl][(4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Smiles: | Cc1ccc(cc1)NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(c(c1)OC)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 4.9478 |
| logD: | 1.9763 |
| logSw: | -4.4301 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.097 |
| InChI Key: | YXXZISODYHJJAV-UHFFFAOYSA-N |