3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1945 |
| Compound Name: | 3-[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C30 H25 N5 O2 |
| Smiles: | CCCCOc1cccc(c1)c1c(\C=C(C#N)/C2NC(c3ccccc3N=2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5357 |
| logD: | 4.1613 |
| logSw: | -5.3841 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.998 |
| InChI Key: | UVHBAUDLXYCFHA-UHFFFAOYSA-N |