2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
Formula:C24H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one |
| MolecularFormula | C24H19N3O3 |
| Smiles | [O-][N+](c1cc(/C=C/C(N2CCc3ccccc3)=Nc(cccc3)c3C2=O)ccc1)=O |
| InChI | InChI=1S/C24H19N3O3/c28-24-21-11-4-5-12-22(21)25-23(26(24)16-15-18-7-2-1-3-8-18)14-13-19-9-6-10-20(17-19)27(29)30/h1-14,17H,15-16H2 |
| InChIK | NBJWPJAYFNHKDV-UHFFFAOYSA-N |
| TotalMolweight | 397.433 |
| Molweight | 397.433 |
| MonoisotopicMass | 397.142642 |
| CLogP | 3.7415 |
| CLogS | -5.108 |
| H Acceptors | 6 |
| TotalSurfaceArea | 307.99 |
| Relative PSA | 0.19001 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -1.8168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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