2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-8-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-8-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-8-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y509-3328 |
| Compound Name: | 2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-8-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C23 H28 N6 O |
| Smiles: | Cc1c(\C=C2/CCCC3C(C(C#N)=C(N)OC2=3)c2c(C)nn(C)c2C)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3937 |
| logD: | 1.3937 |
| logSw: | -1.3299 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.377 |
| InChI Key: | SYCGEADZVNPODZ-OAQYLSRUSA-N |