2-amino-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4043 |
| Compound Name: | 2-amino-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 298.34 |
| Molecular Formula: | C16 H18 N4 O2 |
| Smiles: | CC(C)n1cc(cn1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9788 |
| logD: | 0.9788 |
| logSw: | -1.0856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.563 |
| InChI Key: | CRGDNUWRFOLBSO-CQSZACIVSA-N |