2-amino-4-(1-cyclopentyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1-cyclopentyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(1-cyclopentyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4135 |
| Compound Name: | 2-amino-4-(1-cyclopentyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cnn(c2)C2CCCC2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0263 |
| logD: | 2.0263 |
| logSw: | -1.9648 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.159 |
| InChI Key: | RMBIKFDFMXEMSI-QGZVFWFLSA-N |