3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Formula:C30H28N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is not a drug-like molecule.
| MolName | 3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one |
| MolecularFormula | C30H28N4O |
| Smiles | O=C1N(Cc2ccccc2)C(N/N=C\c2ccccc2)=NC2=C1C1(CCCC1)Cc1c2cccc1 |
| InChI | InChI=1S/C30H28N4O/c35-28-26-27(25-16-8-7-15-24(25)19-30(26)17-9-10-18-30)32-29(33-31-20-22-11-3-1-4-12-22)34(28)21-23-13-5-2-6-14-23/h1-8,11-16,20H,9-10,17-19,21H2,(H,32,33) |
| InChIK | LUNAUCOTFBZGKZ-UHFFFAOYSA-N |
| TotalMolweight | 460.579 |
| Molweight | 460.579 |
| MonoisotopicMass | 460.226311 |
| CLogP | 6.0784 |
| CLogS | -6.861 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.41 |
| Relative PSA | 0.14369 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 4.0584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one | 2 - 3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
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