3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Formula:C31H30N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is not a drug-like molecule.
| MolName | 3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one |
| MolecularFormula | C31H30N4O |
| Smiles | O=C1N(Cc2ccccc2)C(N/N=C\c2ccccc2)=NC2=C1C1(CCCCC1)Cc1c2cccc1 |
| InChI | InChI=1S/C31H30N4O/c36-29-27-28(26-17-9-8-16-25(26)20-31(27)18-10-3-11-19-31)33-30(34-32-21-23-12-4-1-5-13-23)35(29)22-24-14-6-2-7-15-24/h1-2,4-9,12-17,21H,3,10-11,18-20,22H2,(H,33,34) |
| InChIK | FFCPHEHLKPYTPH-UHFFFAOYSA-N |
| TotalMolweight | 474.606 |
| Molweight | 474.606 |
| MonoisotopicMass | 474.241961 |
| CLogP | 6.4204 |
| CLogS | -7.131 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 369.17 |
| Relative PSA | 0.13834 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 1.9201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one | 2 - 3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
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