2-amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-8-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-8-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-8-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-3789 |
| Compound Name: | 2-amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-8-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C25 H32 N6 O |
| Smiles: | CCn1c(C)c(\C=C2/CCCC3C(C(C#N)=C(N)OC2=3)c2c(C)nn(CC)c2C)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4712 |
| logD: | 2.4712 |
| logSw: | -2.431 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.255 |
| InChI Key: | MTEOLTPQUYIJGB-HSZRJFAPSA-N |