3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Formula:C31H29N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is not a drug-like molecule.
| MolName | 3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one |
| MolecularFormula | C31H29N4OCl |
| Smiles | O=C1N(Cc2ccccc2)C(N/N=C\c(cc2)ccc2Cl)=NC2=C1C1(CCCCC1)Cc1c2cccc1 |
| InChI | InChI=1S/C31H29ClN4O/c32-25-15-13-22(14-16-25)20-33-35-30-34-28-26-12-6-5-11-24(26)19-31(17-7-2-8-18-31)27(28)29(37)36(30)21-23-9-3-1-4-10-23/h1,3-6,9-16,20H,2,7-8,17-19,21H2,(H,34,35) |
| InChIK | SDCCTZGEHNCSQT-UHFFFAOYSA-N |
| TotalMolweight | 509.051 |
| Molweight | 509.051 |
| MonoisotopicMass | 508.202988 |
| CLogP | 7.0264 |
| CLogS | -7.867 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 384.59 |
| Relative PSA | 0.13279 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 1.9437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.43243 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-[(4-chlorophenyl)methylidene]hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one | 2 - 3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
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