N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoxaline-2-carboxamide
Formula:C23H17N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoxaline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoxaline-2-carboxamide |
| MolecularFormula | C23H17N4O2Br |
| Smiles | O=C(c1nc2ccccc2nc1)N/N=C\c(cccc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C23H17BrN4O2/c24-18-8-5-6-16(12-18)15-30-22-11-4-1-7-17(22)13-26-28-23(29)21-14-25-19-9-2-3-10-20(19)27-21/h1-14H,15H2,(H,28,29) |
| InChIK | LJARCLNLZPAMFI-UHFFFAOYSA-N |
| TotalMolweight | 461.318 |
| Molweight | 461.318 |
| MonoisotopicMass | 460.053487 |
| CLogP | 4.7665 |
| CLogS | -5.726 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 321.26 |
| Relative PSA | 0.21151 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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