2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
Formula:C17H15N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide |
| MolecularFormula | C17H15N2O4Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H15BrN2O4/c18-13-2-1-3-14(9-13)24-11-17(21)20-19-10-12-4-5-15-16(8-12)23-7-6-22-15/h1-5,8-10H,6-7,11H2,(H,20,21) |
| InChIK | ZCZHJHMZXGMCQP-UHFFFAOYSA-N |
| TotalMolweight | 391.22 |
| Molweight | 391.22 |
| MonoisotopicMass | 390.021519 |
| CLogP | 3.4805 |
| CLogS | -4.517 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 263.4 |
| Relative PSA | 0.25061 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -4.4734 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - 2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
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