2-amino-4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4107 |
| Compound Name: | 2-amino-4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | CCOC(C)n1cc(cn1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7782 |
| logD: | 0.7782 |
| logSw: | -0.7447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.114 |
| InChI Key: | GJTKMVWVUUNZDC-UHFFFAOYSA-N |