N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-bromophenyl)oxamide
Formula:C16H12N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-bromophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-bromophenyl)oxamide |
| MolecularFormula | C16H12N3O4Br |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc1cccc(Br)c1 |
| InChI | InChI=1S/C16H12BrN3O4/c17-11-2-1-3-12(7-11)19-15(21)16(22)20-18-8-10-4-5-13-14(6-10)24-9-23-13/h1-8H,9H2,(H,19,21)(H,20,22) |
| InChIK | PGBMIJJPSODBFF-UHFFFAOYSA-N |
| TotalMolweight | 390.192 |
| Molweight | 390.192 |
| MonoisotopicMass | 389.001118 |
| CLogP | 2.9805 |
| CLogS | -5.07 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 255.09 |
| Relative PSA | 0.31561 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 1.7802 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-bromophenyl)oxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-bromophenyl)oxamide
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