N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C24H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C24H18N4O3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C24H18N4O3/c29-24(18-11-12-21-22(13-18)31-16-30-21)26-25-14-19-15-28(20-9-5-2-6-10-20)27-23(19)17-7-3-1-4-8-17/h1-15H,16H2,(H,26,29) |
| InChIK | QRISVVFLYTWCKJ-UHFFFAOYSA-N |
| TotalMolweight | 410.432 |
| Molweight | 410.432 |
| MonoisotopicMass | 410.137891 |
| CLogP | 4.232 |
| CLogS | -5.945 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 314.73 |
| Relative PSA | 0.23465 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | 5.7367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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