N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
Formula:C20H19N4O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide |
| MolecularFormula | C20H19N4O4Br |
| Smiles | O=C(COc1ccc(/C=N\NC(C(NC2CC2)=O)=O)cc1)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C20H19BrN4O4/c21-14-3-5-15(6-4-14)23-18(26)12-29-17-9-1-13(2-10-17)11-22-25-20(28)19(27)24-16-7-8-16/h1-6,9-11,16H,7-8,12H2,(H,23,26)(H,24,27)(H,25,28) |
| InChIK | YDOVBJUJSZCDOP-UHFFFAOYSA-N |
| TotalMolweight | 459.299 |
| Molweight | 459.299 |
| MonoisotopicMass | 458.058967 |
| CLogP | 2.4125 |
| CLogS | -4.908 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 314.32 |
| Relative PSA | 0.30227 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 2.6541 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide | 2 - N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
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