2-[(2Z)-2-benzylidenehydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Formula:C32H32N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(2Z)-2-benzylidenehydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is not a drug-like molecule.
| MolName | 2-[(2Z)-2-benzylidenehydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one |
| MolecularFormula | C32H32N4O |
| Smiles | O=C1N(CCc2ccccc2)C(N/N=C\c2ccccc2)=NC2=C1C1(CCCCC1)Cc1c2cccc1 |
| InChI | InChI=1S/C32H32N4O/c37-30-28-29(27-17-9-8-16-26(27)22-32(28)19-10-3-11-20-32)34-31(35-33-23-25-14-6-2-7-15-25)36(30)21-18-24-12-4-1-5-13-24/h1-2,4-9,12-17,23H,3,10-11,18-22H2,(H,34,35) |
| InChIK | LMNNAEDMVYPHBJ-UHFFFAOYSA-N |
| TotalMolweight | 488.633 |
| Molweight | 488.633 |
| MonoisotopicMass | 488.257611 |
| CLogP | 6.8505 |
| CLogS | -7.243 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 382.93 |
| Relative PSA | 0.13337 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 2.1397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.40541 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one | 2 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
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