2-amino-4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-7,7-dimethyl-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]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4157 |
| Compound Name: | 2-amino-4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CCOC(C)n1cc(cn1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3783 |
| logD: | 1.3783 |
| logSw: | -1.3625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.114 |
| InChI Key: | FBWOQDNOLOKQAK-UHFFFAOYSA-N |