2-amino-4-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4153 |
| Compound Name: | 2-amino-4-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | Cc1cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)n(C2CCCC2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5931 |
| logD: | 1.5931 |
| logSw: | -1.6851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.702 |
| InChI Key: | IMIUQKKPRKORLR-KRWDZBQOSA-N |