N-[(Z)-(4-bromophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
Formula:C18H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide |
| MolecularFormula | C18H15N4O2Br |
| Smiles | O=C(CCC1=Nc(cccc2)c2NC1=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H15BrN4O2/c19-13-7-5-12(6-8-13)11-20-23-17(24)10-9-16-18(25)22-15-4-2-1-3-14(15)21-16/h1-8,11H,9-10H2,(H,22,25)(H,23,24) |
| InChIK | KHPZAVOLSBSPQJ-UHFFFAOYSA-N |
| TotalMolweight | 399.247 |
| Molweight | 399.247 |
| MonoisotopicMass | 398.037837 |
| CLogP | 2.8765 |
| CLogS | -4.953 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 271.82 |
| Relative PSA | 0.26495 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 3.7227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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