2-amino-7,7-dimethyl-5-oxo-4-(1-phenyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-(1-phenyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-(1-phenyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4081 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-(1-phenyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cnn(c2)c2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3267 |
| logD: | 2.3267 |
| logSw: | -2.7284 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.96 |
| InChI Key: | KBNALNXSPDKACG-GOSISDBHSA-N |