methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate
methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | K786-1401 |
| Compound Name: | methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-methylphenyl)sulfanyl]benzoate |
| Molecular Weight: | 473.01 |
| Molecular Formula: | C23 H21 Cl N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)Sc1ccc(cc1NC(Nc1ccc(c(c1)[Cl])OC)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 7.2011 |
| logD: | 7.2011 |
| logSw: | -6.5772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.896 |
| InChI Key: | ARJFVUHJXGNPBR-UHFFFAOYSA-N |