N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitrothiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitrothiophene-2-carboxamide
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitrothiophene-2-carboxamide
Compound characteristics
| Compound ID: | G856-0070 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitrothiophene-2-carboxamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C18 H11 N3 O4 S2 |
| Smiles: | c1ccc2c(c1)nc(c1cc(ccc1O)NC(c1ccc([N+]([O-])=O)s1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.6409 |
| logD: | 5.6406 |
| logSw: | -5.5519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.078 |
| InChI Key: | BXDSPDAWDBNJAD-UHFFFAOYSA-N |