methyl 3-{[(3-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 3-{[(3-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate
methyl 3-{[(3-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | K786-1398 |
| Compound Name: | methyl 3-{[(3-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C23 H22 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)Sc1ccc(cc1NC(Nc1cccc(c1)OC)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.7569 |
| logD: | 6.7569 |
| logSw: | -5.6907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.809 |
| InChI Key: | VFNGJKGZBLNMHI-UHFFFAOYSA-N |