(5E)-5-benzylidene-9-phenyl-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline
Formula:C22H18N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-benzylidene-9-phenyl-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline is a drug-like molecule.
| MolName | (5E)-5-benzylidene-9-phenyl-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline |
| MolecularFormula | C22H18N4 |
| Smiles | C(C1)Cc2c(-c3ccccc3)n3ncnc3nc2/C1=C/c1ccccc1 |
| InChI | InChI=1S/C22H18N4/c1-3-8-16(9-4-1)14-18-12-7-13-19-20(18)25-22-23-15-24-26(22)21(19)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2 |
| InChIK | BIDJGCXSDFRCQD-UHFFFAOYSA-N |
| TotalMolweight | 338.413 |
| Molweight | 338.413 |
| MonoisotopicMass | 338.153146 |
| CLogP | 3.7171 |
| CLogS | -3.588 |
| H Acceptors | 4 |
| TotalSurfaceArea | 266.8 |
| Relative PSA | 0.15315 |
| PolarSurfaceArea | 43.08 |
| Druglikeness | 1.5245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-benzylidene-9-phenyl-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline | 2 - (5E)-5-benzylidene-9-phenyl-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline
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