3-chloro-N-(2,6-dimethylphenyl)-6-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(2,6-dimethylphenyl)-6-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-(2,6-dimethylphenyl)-6-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y500-7837 |
| Compound Name: | 3-chloro-N-(2,6-dimethylphenyl)-6-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 360.82 |
| Molecular Formula: | C17 H13 Cl N2 O3 S |
| Smiles: | Cc1cccc(C)c1NC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7631 |
| logD: | 4.7628 |
| logSw: | -5.0655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.062 |
| InChI Key: | WNDOIRHKWYVDBU-UHFFFAOYSA-N |