N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dinitrobenzamide
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 1503-0372 |
| Compound Name: | N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dinitrobenzamide |
| Molecular Weight: | 420.4 |
| Molecular Formula: | C20 H12 N4 O5 S |
| Smiles: | c1ccc(c(c1)c1nc2ccccc2s1)NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8272 |
| logD: | 4.8021 |
| logSw: | -4.8916 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.543 |
| InChI Key: | QQKKDDUGKXTWFJ-UHFFFAOYSA-N |