3-benzyl-N-[(Z)-benzylideneamino]-4-oxoquinazoline-2-carboxamide
Formula:C23H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-N-[(Z)-benzylideneamino]-4-oxoquinazoline-2-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-N-[(Z)-benzylideneamino]-4-oxoquinazoline-2-carboxamide |
| MolecularFormula | C23H18N4O2 |
| Smiles | O=C(C(N1Cc2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H18N4O2/c28-22(26-24-15-17-9-3-1-4-10-17)21-25-20-14-8-7-13-19(20)23(29)27(21)16-18-11-5-2-6-12-18/h1-15H,16H2,(H,26,28) |
| InChIK | YJTFVAYOZGDXJP-UHFFFAOYSA-N |
| TotalMolweight | 382.422 |
| Molweight | 382.422 |
| MonoisotopicMass | 382.142976 |
| CLogP | 3.2406 |
| CLogS | -4.563 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 298.03 |
| Relative PSA | 0.21511 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 7.4325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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