3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-0121 |
| Compound Name: | 3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 382.21 |
| Molecular Formula: | C18 H12 Br N3 O2 |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1cc3c(cc1[Br])OCO3)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.373 |
| logD: | 4.3726 |
| logSw: | -4.3901 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.43 |
| InChI Key: | QBAHDSKTCKVARG-UHFFFAOYSA-N |