N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitro-1-benzothiophene-2-carboxamide
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3331-4679 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C22 H13 N3 O4 S2 |
| Smiles: | c1ccc2c(c1)nc(c1cc(ccc1O)NC(c1cc3cc(ccc3s1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.738 |
| logD: | 6.7377 |
| logSw: | -6.133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.455 |
| InChI Key: | LUQQSDBKLNUUEG-UHFFFAOYSA-N |