(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-3,5-dihydropyrano[4,3-d]pyrimidin-2-one
Formula:C20H14N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-3,5-dihydropyrano[4,3-d]pyrimidin-2-one is a drug-like molecule.
| MolName | (8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-3,5-dihydropyrano[4,3-d]pyrimidin-2-one |
| MolecularFormula | C20H14N2O2Br2 |
| Smiles | O=C1N=C(/C(/COC2)=C\c(cc3)ccc3Br)C2=C(c(cc2)ccc2Br)N1 |
| InChI | InChI=1S/C20H14Br2N2O2/c21-15-5-1-12(2-6-15)9-14-10-26-11-17-18(23-20(25)24-19(14)17)13-3-7-16(22)8-4-13/h1-9H,10-11H2,(H,23,24,25) |
| InChIK | LZEARBPFZUKCGT-UHFFFAOYSA-N |
| TotalMolweight | 474.151 |
| Molweight | 474.151 |
| MonoisotopicMass | 471.9422 |
| CLogP | 4.7281 |
| CLogS | -5.772 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 280.61 |
| Relative PSA | 0.16396 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-3,5-dihydropyrano[4,3-d]pyrimidin-2-one | 2 - (8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-3,5-dihydropyrano[4,3-d]pyrimidin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off