methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-chlorophenyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-chlorophenyl)sulfanyl]benzoate
methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-chlorophenyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | K786-1403 |
| Compound Name: | methyl 3-{[(3-chloro-4-methoxyphenyl)carbamothioyl]amino}-4-[(4-chlorophenyl)sulfanyl]benzoate |
| Molecular Weight: | 493.43 |
| Molecular Formula: | C22 H18 Cl2 N2 O3 S2 |
| Smiles: | COC(c1ccc(c(c1)NC(Nc1ccc(c(c1)[Cl])OC)=S)Sc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.3724 |
| logD: | 7.3724 |
| logSw: | -6.6187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.896 |
| InChI Key: | LFDHVZLAAZGSEB-UHFFFAOYSA-N |