2-amino-4-(5-chloro-3-methyl-1-phenyl-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-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-8869 |
| Compound Name: | 2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 408.89 |
| Molecular Formula: | C22 H21 Cl N4 O2 |
| Smiles: | Cc1c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(n(c2ccccc2)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8511 |
| logD: | 2.8511 |
| logSw: | -3.5948 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.402 |
| InChI Key: | CURXECZFPFVPRY-SFHVURJKSA-N |