(Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C20H16N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C20H16N6O2 |
| Smiles | C1Oc(ccc(-c(c(/C=N\n2cnnc2)c2)nn2-c2ccccc2)c2)c2OC1 |
| InChI | InChI=1S/C20H16N6O2/c1-2-4-17(5-3-1)26-12-16(11-23-25-13-21-22-14-25)20(24-26)15-6-7-18-19(10-15)28-9-8-27-18/h1-7,10-14H,8-9H2 |
| InChIK | RKGHNWFYFJCVEU-UHFFFAOYSA-N |
| TotalMolweight | 372.387 |
| Molweight | 372.387 |
| MonoisotopicMass | 372.133474 |
| CLogP | 2.1261 |
| CLogS | -6.005 |
| H Acceptors | 8 |
| TotalSurfaceArea | 286 |
| Relative PSA | 0.27329 |
| PolarSurfaceArea | 79.35 |
| Druglikeness | -3.2488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - (Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
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