4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 0591-5650 |
| Compound Name: | 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.7819 |
| logD: | 5.7815 |
| logSw: | -5.4214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.859 |
| InChI Key: | UPXJQAAVKXBDQJ-UHFFFAOYSA-N |