2-amino-4-(4-chloro-1-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-chloro-1-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-chloro-1-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4074 |
| Compound Name: | 2-amino-4-(4-chloro-1-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 332.79 |
| Molecular Formula: | C16 H17 Cl N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2c(cn(C)n2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6163 |
| logD: | 1.6163 |
| logSw: | -2.4558 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.958 |
| InChI Key: | PINXIMMBFIXXRA-GFCCVEGCSA-N |