2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Chemical Structure Depiction of
2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Compound characteristics
| Compound ID: | 0318-0083 |
| Compound Name: | 2-chloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide |
| Molecular Weight: | 420.1 |
| Molecular Formula: | C11 H10 Cl4 N4 O3 S |
| Smiles: | C(C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.947 |
| logD: | 2.2658 |
| logSw: | -3.5946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.799 |
| InChI Key: | QNVAEALKCISBNR-VIFPVBQESA-N |