4-({[(3,4-dimethoxyphenyl)methyl][(2-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3,4-dimethoxyphenyl)methyl][(2-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(3,4-dimethoxyphenyl)methyl][(2-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4717 |
| Compound Name: | 4-({[(3,4-dimethoxyphenyl)methyl][(2-ethylphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C26 H28 N2 O4 S |
| Smiles: | CCc1ccccc1NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(c(c1)OC)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3677 |
| logD: | 2.3962 |
| logSw: | -5.208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.399 |
| InChI Key: | JTZCGJIRUASFEI-UHFFFAOYSA-N |