2-amino-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4051 |
| Compound Name: | 2-amino-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 270.29 |
| Molecular Formula: | C14 H14 N4 O2 |
| Smiles: | Cn1cc(cn1)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0206 |
| logD: | -0.0206 |
| logSw: | -0.0502 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.411 |
| InChI Key: | CTXLSIKRWGPBJZ-GFCCVEGCSA-N |