N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide
N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide
Compound characteristics
| Compound ID: | 0502-0096 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)nonanamide |
| Molecular Weight: | 513.87 |
| Molecular Formula: | C19 H27 Cl3 N4 O4 S |
| Smiles: | CCCCCCCCC(NC(C([Cl])([Cl])[Cl])NC(Nc1cc(ccc1OC)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8158 |
| logD: | 5.719 |
| logSw: | -5.7472 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.732 |
| InChI Key: | KNFRJBBZJNUSKR-KRWDZBQOSA-N |