2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Formula:C29H26N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is not a drug-like molecule.
| MolName | 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one |
| MolecularFormula | C29H26N4O |
| Smiles | O=C1N(c2ccccc2)C(N/N=C\c2ccccc2)=NC2=C1C1(CCCC1)Cc1c2cccc1 |
| InChI | InChI=1S/C29H26N4O/c34-27-25-26(24-16-8-7-13-22(24)19-29(25)17-9-10-18-29)31-28(33(27)23-14-5-2-6-15-23)32-30-20-21-11-3-1-4-12-21/h1-8,11-16,20H,9-10,17-19H2,(H,31,32) |
| InChIK | DACJFTBFSSAZPH-UHFFFAOYSA-N |
| TotalMolweight | 446.552 |
| Molweight | 446.552 |
| MonoisotopicMass | 446.210661 |
| CLogP | 6.1555 |
| CLogS | -7.383 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 341.65 |
| Relative PSA | 0.14948 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 3.0868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one | 2 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
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