1-phenyl-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
Formula:C28H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 1-phenyl-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]quinazolin-4-one |
| MolecularFormula | C28H22N4O2 |
| Smiles | O=C1N=C(N/N=C\c2cc(OCc3ccccc3)ccc2)N(c2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C28H22N4O2/c33-27-25-16-7-8-17-26(25)32(23-13-5-2-6-14-23)28(30-27)31-29-19-22-12-9-15-24(18-22)34-20-21-10-3-1-4-11-21/h1-19H,20H2,(H,30,31,33) |
| InChIK | LMMFQOXXAFXWQU-UHFFFAOYSA-N |
| TotalMolweight | 446.509 |
| Molweight | 446.509 |
| MonoisotopicMass | 446.174276 |
| CLogP | 5.9982 |
| CLogS | -7.996 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 350.04 |
| Relative PSA | 0.17447 |
| PolarSurfaceArea | 66.29 |
| Druglikeness | 3.7525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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