3-(4-hydroxy-3-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(4-hydroxy-3-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(4-hydroxy-3-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
Compound ID: | 3643-1836 |
Compound Name: | 3-(4-hydroxy-3-nitrophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
Molecular Weight: | 320.31 |
Molecular Formula: | C17 H12 N4 O3 |
Smiles: | Cn1c2ccccc2nc1C(=C\c1ccc(c(c1)[N+]([O-])=O)O)\C#N |
Stereo: | ACHIRAL |
logP: | 3.6395 |
logD: | 2.8462 |
logSw: | -3.8355 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.662 |
InChI Key: | XBCBSYFHHYBPJS-UHFFFAOYSA-N |