methyl 2-(4-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Chemical Structure Depiction of
methyl 2-(4-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
methyl 2-(4-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Compound characteristics
| Compound ID: | 8010-7975 |
| Compound Name: | methyl 2-(4-{[(2,4-dichlorobenzoyl)carbamothioyl]amino}-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate |
| Molecular Weight: | 495.3 |
| Molecular Formula: | C19 H15 Cl2 F3 N2 O4 S |
| Smiles: | Cc1cc(ccc1NC(NC(c1ccc(cc1[Cl])[Cl])=O)=S)C(C(=O)OC)(C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.941 |
| logD: | 4.8036 |
| logSw: | -4.8052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.784 |
| InChI Key: | YPHKJTHYLVJHBK-GOSISDBHSA-N |