2-amino-7,7-dimethyl-4-[1-(3-methylbutyl)-1H-pyrazol-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-[1-(3-methylbutyl)-1H-pyrazol-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-[1-(3-methylbutyl)-1H-pyrazol-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4083 |
| Compound Name: | 2-amino-7,7-dimethyl-4-[1-(3-methylbutyl)-1H-pyrazol-3-yl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CC(C)CCn1ccc(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4002 |
| logD: | 2.4002 |
| logSw: | -2.6371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.241 |
| InChI Key: | QUKRDWLBUGTVGI-KRWDZBQOSA-N |