3-[(Z)-benzylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
Formula:C21H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-benzylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-benzylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one |
| MolecularFormula | C21H17N3O |
| Smiles | O=C(c(cccc1)c1NC1c2ccccc2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H17N3O/c25-21-18-13-7-8-14-19(18)23-20(17-11-5-2-6-12-17)24(21)22-15-16-9-3-1-4-10-16/h1-15,20,23H/t20-/m0/s1 |
| InChIK | XDNVQLYIILLRDP-FQEVSTJZSA-N |
| TotalMolweight | 327.386 |
| Molweight | 327.386 |
| MonoisotopicMass | 327.137162 |
| CLogP | 3.7008 |
| CLogS | -4.633 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.05 |
| Relative PSA | 0.1545 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.0366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 3-[(Z)-benzylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one | 2 - 3-[(Z)-benzylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
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