3-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-5105 |
| Compound Name: | 3-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 445.26 |
| Molecular Formula: | C19 H16 I N3 O2 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2nc3cc(C)ccc3[nH]2)cc(c1O)I |
| Stereo: | ACHIRAL |
| logP: | 5.25 |
| logD: | 5.2062 |
| logSw: | -4.9341 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.004 |
| InChI Key: | BXDHYFNWZOMSPI-UHFFFAOYSA-N |