N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 1000-0347 |
| Compound Name: | N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 372.36 |
| Molecular Formula: | C16 H12 N4 O5 S |
| Smiles: | Cc1cc(C)c2c(c1)sc(NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.7018 |
| logD: | 4.3676 |
| logSw: | -4.4123 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.624 |
| InChI Key: | PIGQNDFGCRWOGD-UHFFFAOYSA-N |