3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one
Formula:C24H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one |
| MolecularFormula | C24H16N2O5 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(cc2)cc3c2OCO3)N1c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H16N2O5/c27-24-17-3-1-2-4-18(17)25-23(10-6-15-5-8-19-21(11-15)30-13-28-19)26(24)16-7-9-20-22(12-16)31-14-29-20/h1-12H,13-14H2 |
| InChIK | YIUCWMQWWLSPTF-UHFFFAOYSA-N |
| TotalMolweight | 412.4 |
| Molweight | 412.4 |
| MonoisotopicMass | 412.105923 |
| CLogP | 4.5329 |
| CLogS | -6.48 |
| H Acceptors | 7 |
| TotalSurfaceArea | 297.32 |
| Relative PSA | 0.22905 |
| PolarSurfaceArea | 69.59 |
| Druglikeness | 1.6774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one | 2 - 3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one
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