3,5-dinitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3,5-dinitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
3,5-dinitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1309-0759 |
| Compound Name: | 3,5-dinitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 506.75 |
| Molecular Formula: | C17 H14 Cl3 N5 O5 S |
| Smiles: | Cc1ccccc1NC(NC(C([Cl])([Cl])[Cl])NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1607 |
| logD: | 1.1738 |
| logSw: | -4.5489 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.425 |
| InChI Key: | VDLAIKSVPAQVAD-HNNXBMFYSA-N |