N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 2026-3366 |
| Compound Name: | N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 450.43 |
| Molecular Formula: | C21 H14 N4 O6 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)O)c1nc2ccccc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.029 |
| logD: | 5.013 |
| logSw: | -4.5016 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.488 |
| InChI Key: | WNLHXGOGRDUPDI-UHFFFAOYSA-N |