N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Formula:C24H21N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| MolecularFormula | C24H21N2O4Br |
| Smiles | O=C(Cc(cc1)cc2c1OCCO2)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C24H21BrN2O4/c25-20-8-5-17(6-9-20)16-31-21-4-2-1-3-19(21)15-26-27-24(28)14-18-7-10-22-23(13-18)30-12-11-29-22/h1-10,13,15H,11-12,14,16H2,(H,27,28) |
| InChIK | HIRMUFCJYQGWCS-UHFFFAOYSA-N |
| TotalMolweight | 481.345 |
| Molweight | 481.345 |
| MonoisotopicMass | 480.068469 |
| CLogP | 5.2518 |
| CLogS | -6.043 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 336.92 |
| Relative PSA | 0.19592 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -4.6614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide | 2 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
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