(2R)-2-(4-bromophenyl)-3-[(Z)-(4-bromophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
Formula:C21H15N3OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-(4-bromophenyl)-3-[(Z)-(4-bromophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one is not a drug-like molecule.
| MolName | (2R)-2-(4-bromophenyl)-3-[(Z)-(4-bromophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one |
| MolecularFormula | C21H15N3OBr2 |
| Smiles | O=C(c(cccc1)c1N[C@H]1c(cc2)ccc2Br)N1/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C21H15Br2N3O/c22-16-9-5-14(6-10-16)13-24-26-20(15-7-11-17(23)12-8-15)25-19-4-2-1-3-18(19)21(26)27/h1-13,20,25H/t20-/m1/s1 |
| InChIK | GKKGFCWPVAMQPU-HXUWFJFHSA-N |
| TotalMolweight | 485.178 |
| Molweight | 485.178 |
| MonoisotopicMass | 482.958184 |
| CLogP | 5.1512 |
| CLogS | -6.301 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.31 |
| Relative PSA | 0.13487 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 2.2466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - (2R)-2-(4-bromophenyl)-3-[(Z)-(4-bromophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one | 2 - (2R)-2-(4-bromophenyl)-3-[(Z)-(4-bromophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
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