5-amino-3-{2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-7921 |
| Compound Name: | 5-amino-3-{2-[2-(benzyloxy)-3,5-diiodophenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 669.26 |
| Molecular Formula: | C26 H17 I2 N5 O |
| Smiles: | C(c1ccccc1)Oc1c(/C=C(C#N)/c2c(C#N)c(N)n(c3ccccc3)n2)cc(cc1I)I |
| Stereo: | ACHIRAL |
| logP: | 6.6072 |
| logD: | 6.6072 |
| logSw: | -6.2395 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.343 |
| InChI Key: | HYLGQYDATKMVGS-UHFFFAOYSA-N |