(8E)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one
Formula:C21H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one is a drug-like molecule.
| MolName | (8E)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one |
| MolecularFormula | C21H20N2O |
| Smiles | O=C1NC(/C(/CCC2)=C/c3ccccc3)=C2C(c2ccccc2)N1 |
| InChI | InChI=1S/C21H20N2O/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,19H,7,12-13H2,(H2,22,23,24)/t19-/m0/s1 |
| InChIK | NFRZKWYPMCUOCU-IBGZPJMESA-N |
| TotalMolweight | 316.403 |
| Molweight | 316.403 |
| MonoisotopicMass | 316.157563 |
| CLogP | 4.2885 |
| CLogS | -4.764 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 248.1 |
| Relative PSA | 0.14494 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -0.89672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - (8E)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one | 2 - (8E)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one
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