N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-methyl-4-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-methyl-4-nitrobenzamide
Compound characteristics
Compound ID: | 2026-3299 |
Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-methyl-4-nitrobenzamide |
Molecular Weight: | 405.43 |
Molecular Formula: | C21 H15 N3 O4 S |
Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2ccccc2s1)O)=O |
Stereo: | ACHIRAL |
logP: | 5.8996 |
logD: | 5.8992 |
logSw: | -5.2545 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.407 |
InChI Key: | RNIWJURHQLAMDZ-UHFFFAOYSA-N |