2-amino-4-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4143 |
| Compound Name: | 2-amino-4-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | CCn1c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(C)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9372 |
| logD: | 1.9372 |
| logSw: | -1.8059 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.557 |
| InChI Key: | NZWLJTIVNBSSCT-CQSZACIVSA-N |