N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8290-02949 |
| Compound Name: | N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | Cc1cc(ccc1NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5697 |
| logD: | 5.5689 |
| logSw: | -5.4572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.161 |
| InChI Key: | SHSJVIOPKBEZSM-UHFFFAOYSA-N |