4-bromo-N-[(Z)-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]phenyl]methylideneamino]benzamide
Formula:C19H19N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C19H19N2O4Br |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c(cc1)ccc1OC[C@@H]1OCCOC1 |
| InChI | InChI=1S/C19H19BrN2O4/c20-16-5-3-15(4-6-16)19(23)22-21-11-14-1-7-17(8-2-14)26-13-18-12-24-9-10-25-18/h1-8,11,18H,9-10,12-13H2,(H,22,23)/t18-/m1/s1 |
| InChIK | ITGNYSARGJOTTL-GOSISDBHSA-N |
| TotalMolweight | 419.274 |
| Molweight | 419.274 |
| MonoisotopicMass | 418.052819 |
| CLogP | 3.3346 |
| CLogS | -4.639 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.66 |
| Relative PSA | 0.22789 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -8.8553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - 4-bromo-N-[(Z)-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]phenyl]methylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]phenyl]methylideneamino]benzamide
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