5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-6657 |
| Compound Name: | 5-amino-3-(2-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 463.92 |
| Molecular Formula: | C24 H22 Cl N5 O3 |
| Smiles: | CCOc1cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)ccc1OCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.874 |
| logD: | 2.874 |
| logSw: | -3.7364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.236 |
| InChI Key: | KSTUEVVKJFBSFK-UHFFFAOYSA-N |