2-amino-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4079 |
| Compound Name: | 2-amino-5-oxo-4-(1,3,5-trimethyl-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: | Cc1c(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2558 |
| logD: | 0.2558 |
| logSw: | -0.2821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.442 |
| InChI Key: | PLYDPSBFHBWKOI-AWEZNQCLSA-N |