2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8010-2262 |
| Compound Name: | 2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile |
| Molecular Weight: | 348.32 |
| Molecular Formula: | C18 H12 N4 O4 |
| Smiles: | Cc1ccc2c(c1)[nH]c(/C(=C/c1cc3c(cc1[N+]([O-])=O)OCO3)C#N)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7372 |
| logD: | 3.7335 |
| logSw: | -4.1187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.51 |
| InChI Key: | HMQIOMFNFOVCFD-UHFFFAOYSA-N |