2-(1H-benzimidazol-2-yl)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-0102 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(6-bromo-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile |
| Molecular Weight: | 368.19 |
| Molecular Formula: | C17 H10 Br N3 O2 |
| Smiles: | C1Oc2cc(/C=C(C#N)/c3nc4ccccc4[nH]3)c(cc2O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9133 |
| logD: | 3.9124 |
| logSw: | -4.3683 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.43 |
| InChI Key: | RGNNNSKARWEHSD-UHFFFAOYSA-N |