3-phenyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Formula:C28H25N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-phenyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one is not a drug-like molecule.
| MolName | 3-phenyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one |
| MolecularFormula | C28H25N5O |
| Smiles | O=C1N(c2ccccc2)C(N/N=C\c2ccncc2)=NC2=C1C1(CCCC1)Cc1c2cccc1 |
| InChI | InChI=1S/C28H25N5O/c34-26-24-25(23-11-5-4-8-21(23)18-28(24)14-6-7-15-28)31-27(33(26)22-9-2-1-3-10-22)32-30-19-20-12-16-29-17-13-20/h1-5,8-13,16-17,19H,6-7,14-15,18H2,(H,31,32) |
| InChIK | KXGQOUITEBFROH-UHFFFAOYSA-N |
| TotalMolweight | 447.541 |
| Molweight | 447.541 |
| MonoisotopicMass | 447.20591 |
| CLogP | 5.1546 |
| CLogS | -6.588 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 340.41 |
| Relative PSA | 0.18225 |
| PolarSurfaceArea | 69.95 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-phenyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one | 2 - 3-phenyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
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