[(8Z)-4-[4-(difluoromethoxy)phenyl]-8-[[4-(difluoromethoxy)phenyl]methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide
Formula:C24H20N4O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(8Z)-4-[4-(difluoromethoxy)phenyl]-8-[[4-(difluoromethoxy)phenyl]methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide is a drug-like molecule.
| MolName | [(8Z)-4-[4-(difluoromethoxy)phenyl]-8-[[4-(difluoromethoxy)phenyl]methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide |
| MolecularFormula | C24H20N4O2F4 |
| Smiles | N#CNC(NC1=C2CCC/C1=C/c(cc1)ccc1OC(F)F)=NC2c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C24H20F4N4O2/c25-22(26)33-17-8-4-14(5-9-17)12-16-2-1-3-19-20(31-24(30-13-29)32-21(16)19)15-6-10-18(11-7-15)34-23(27)28/h4-12,20,22-23H,1-3H2,(H2,30,31,32)/t20-/m0/s1 |
| InChIK | IQVFOKXIRKXWTA-FQEVSTJZSA-N |
| TotalMolweight | 472.441 |
| Molweight | 472.441 |
| MonoisotopicMass | 472.152238 |
| CLogP | 4.1508 |
| CLogS | -6.398 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.43 |
| Relative PSA | 0.19683 |
| PolarSurfaceArea | 78.67 |
| Druglikeness | -5.9658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [(8Z)-4-[4-(difluoromethoxy)phenyl]-8-[[4-(difluoromethoxy)phenyl]methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide | 2 - [(8Z)-4-[4-(difluoromethoxy)phenyl]-8-[[4-(difluoromethoxy)phenyl]methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide
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