3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0684 |
| Compound Name: | 3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 475.78 |
| Molecular Formula: | C18 H17 Cl3 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3884 |
| logD: | 2.5338 |
| logSw: | -4.7076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.044 |
| InChI Key: | TYBXMWREHWPMCV-INIZCTEOSA-N |