2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Chemical Structure Depiction of
2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Compound characteristics
| Compound ID: | 0502-0026 |
| Compound Name: | 2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide |
| Molecular Weight: | 567.88 |
| Molecular Formula: | C24 H21 Cl3 N4 O4 S |
| Smiles: | COc1ccc(cc1NC(NC(C([Cl])([Cl])[Cl])NC(C(c1ccccc1)c1ccccc1)=O)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7278 |
| logD: | 4.9488 |
| logSw: | -6.138 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.402 |
| InChI Key: | NQMJALLIYYSGLL-QFIPXVFZSA-N |