3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide
Chemical Structure Depiction of
3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide
3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3254 |
| Compound Name: | 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(c1cccc(C)c1[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.7695 |
| logD: | 5.7461 |
| logSw: | -5.4363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.558 |
| InChI Key: | DTBPZYJERBUVQH-UHFFFAOYSA-N |