(3Z)-2-phenyl-3-[(2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]benzimidazol-3-yl)methylidene]pyrazolo[1,5-a]benzimidazole
Formula:C31H22N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-2-phenyl-3-[(2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]benzimidazol-3-yl)methylidene]pyrazolo[1,5-a]benzimidazole is not a drug-like molecule.
| MolName | (3Z)-2-phenyl-3-[(2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]benzimidazol-3-yl)methylidene]pyrazolo[1,5-a]benzimidazole |
| MolecularFormula | C31H22N6 |
| Smiles | C(C1C(c2ccccc2)=NN2c(cccc3)c3NC12)=C1\c2nc(cccc3)c3n2N=C1c1ccccc1 |
| InChI | InChI=1S/C31H22N6/c1-3-11-20(12-4-1)28-22(30-32-24-15-7-9-17-26(24)36(30)34-28)19-23-29(21-13-5-2-6-14-21)35-37-27-18-10-8-16-25(27)33-31(23)37/h1-19,22,30,32H |
| InChIK | UEUUCWMOVICBNK-UHFFFAOYSA-N |
| TotalMolweight | 478.558 |
| Molweight | 478.558 |
| MonoisotopicMass | 478.190594 |
| CLogP | 5.6493 |
| CLogS | -8.256 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.01 |
| Relative PSA | 0.15872 |
| PolarSurfaceArea | 57.81 |
| Druglikeness | 3.3711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.35135 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 8 |
| Small Rings | 8 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (3Z)-2-phenyl-3-[(2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]benzimidazol-3-yl)methylidene]pyrazolo[1,5-a]benzimidazole | 2 - (3Z)-2-phenyl-3-[(2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]benzimidazol-3-yl)methylidene]pyrazolo[1,5-a]benzimidazole
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