N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide
N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide
Compound characteristics
| Compound ID: | 0502-0092 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide |
| Molecular Weight: | 483.84 |
| Molecular Formula: | C18 H25 Cl3 N4 O3 S |
| Smiles: | CCCCCCCCC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9086 |
| logD: | 5.8119 |
| logSw: | -5.7658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.799 |
| InChI Key: | OMOJWZLCMIACIL-INIZCTEOSA-N |