5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-6273 |
| Compound Name: | 5-amino-3-(2-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 467.89 |
| Molecular Formula: | C23 H19 Cl F N5 O3 |
| Smiles: | COc1cc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)ccc1OCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 2.7304 |
| logD: | 2.7304 |
| logSw: | -3.4941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.656 |
| InChI Key: | RNAZXTHHXUAGLE-UHFFFAOYSA-N |