2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Formula:C32H31N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one |
| MolecularFormula | C32H31N4OCl |
| Smiles | O=C1N(CCc2ccccc2)C(N/N=C\c(cc2)ccc2Cl)=NC2=C1C1(CCCCC1)Cc1c2cccc1 |
| InChI | InChI=1S/C32H31ClN4O/c33-26-15-13-24(14-16-26)22-34-36-31-35-29-27-12-6-5-11-25(27)21-32(18-7-2-8-19-32)28(29)30(38)37(31)20-17-23-9-3-1-4-10-23/h1,3-6,9-16,22H,2,7-8,17-21H2,(H,35,36) |
| InChIK | VMJGOLSYMLVHNH-UHFFFAOYSA-N |
| TotalMolweight | 523.078 |
| Molweight | 523.078 |
| MonoisotopicMass | 522.218638 |
| CLogP | 7.4565 |
| CLogS | -7.979 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 398.35 |
| Relative PSA | 0.1282 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 2.163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one | 2 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
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