N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-nitrobenzamide
Compound characteristics
Compound ID: | 2026-3292 |
Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-nitrobenzamide |
Molecular Weight: | 391.4 |
Molecular Formula: | C20 H13 N3 O4 S |
Smiles: | c1ccc2c(c1)nc(c1cc(ccc1O)NC(c1cccc(c1)[N+]([O-])=O)=O)s2 |
Stereo: | ACHIRAL |
logP: | 5.4272 |
logD: | 5.4267 |
logSw: | -5.4939 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.708 |
InChI Key: | XRSUTFSAYAASOM-UHFFFAOYSA-N |