N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
Formula:C31H27N4O5Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
| MolecularFormula | C31H27N4O5Br |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
| InChI | InChI=1S/C31H27BrN4O5/c32-23-8-5-6-21(18-23)20-41-28-13-12-22-7-1-2-9-24(22)26(28)19-33-35-30(38)29(37)34-27-11-4-3-10-25(27)31(39)36-14-16-40-17-15-36/h1-13,18-19H,14-17,20H2,(H,34,37)(H,35,38) |
| InChIK | ABXADUWXDYTSJU-UHFFFAOYSA-N |
| TotalMolweight | 615.482 |
| Molweight | 615.482 |
| MonoisotopicMass | 614.116482 |
| CLogP | 5.0859 |
| CLogS | -7.016 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 432.54 |
| Relative PSA | 0.22449 |
| PolarSurfaceArea | 109.33 |
| Druglikeness | 3.2159 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.5122 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide | 2 - N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
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