[(8Z)-8-benzylidene-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide
Formula:C22H20N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(8Z)-8-benzylidene-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide is a drug-like molecule.
| MolName | [(8Z)-8-benzylidene-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide |
| MolecularFormula | C22H20N4 |
| Smiles | N#CNC(NC1=C2CCC/C1=C/c1ccccc1)=NC2c1ccccc1 |
| InChI | InChI=1S/C22H20N4/c23-15-24-22-25-20(17-10-5-2-6-11-17)19-13-7-12-18(21(19)26-22)14-16-8-3-1-4-9-16/h1-6,8-11,14,20H,7,12-13H2,(H2,24,25,26)/t20-/m1/s1 |
| InChIK | LGUAJZZMPFHDJE-HXUWFJFHSA-N |
| TotalMolweight | 340.429 |
| Molweight | 340.429 |
| MonoisotopicMass | 340.168796 |
| CLogP | 3.812 |
| CLogS | -5.154 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 275.03 |
| Relative PSA | 0.17449 |
| PolarSurfaceArea | 60.21 |
| Druglikeness | -3.1267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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 |
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1 - [(8Z)-8-benzylidene-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide | 2 - [(8Z)-8-benzylidene-4-phenyl-4,5,6,7-tetrahydro-1H-quinazolin-2-yl]cyanamide
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