methyl 4-{[(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate
methyl 4-{[(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 0319-0072 |
| Compound Name: | methyl 4-{[(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 490.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(NC(C([Cl])([Cl])[Cl])NC(=O)OCc1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1483 |
| logD: | 4.9412 |
| logSw: | -5.6864 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.99 |
| InChI Key: | MHYVQFCSJHZGDO-INIZCTEOSA-N |