3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxy-3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxy-3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxy-3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1491-0366 |
| Compound Name: | 3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxy-3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 512.2 |
| Molecular Formula: | C17 H14 Cl4 N4 O4 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[Cl])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3811 |
| logD: | 2.7616 |
| logSw: | -4.6674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.071 |
| InChI Key: | NETHZKVUMYWGTC-HNNXBMFYSA-N |