[(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide
Formula:C22H18N4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide is not a drug-like molecule.
| MolName | [(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide |
| MolecularFormula | C22H18N4Br2 |
| Smiles | N#CNC(NC1=C2CCC/C1=C\c(cc1)ccc1Br)=NC2c(cc1)ccc1Br |
| InChI | InChI=1S/C22H18Br2N4/c23-17-8-4-14(5-9-17)12-16-2-1-3-19-20(15-6-10-18(24)11-7-15)27-22(26-13-25)28-21(16)19/h4-12,20H,1-3H2,(H2,26,27,28)/t20-/m0/s1 |
| InChIK | WVKCJAZZJBGLIR-FQEVSTJZSA-N |
| TotalMolweight | 498.221 |
| Molweight | 498.221 |
| MonoisotopicMass | 495.989818 |
| CLogP | 5.2624 |
| CLogS | -6.822 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 312.29 |
| Relative PSA | 0.15367 |
| PolarSurfaceArea | 60.21 |
| Druglikeness | -4.9167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide | 2 - [(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide
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