2-(1-bromonaphthalen-2-yl)oxy-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
Formula:C30H22N2O3Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(1-bromonaphthalen-2-yl)oxy-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-bromonaphthalen-2-yl)oxy-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide |
| MolecularFormula | C30H22N2O3Br2 |
| Smiles | O=C(COc(ccc1ccccc11)c1Br)N/N=C\c(c1ccccc1cc1)c1OCc1cc(Br)ccc1 |
| InChI | InChI=1S/C30H22Br2N2O3/c31-23-9-5-6-20(16-23)18-36-27-14-12-21-7-1-3-10-24(21)26(27)17-33-34-29(35)19-37-28-15-13-22-8-2-4-11-25(22)30(28)32/h1-17H,18-19H2,(H,34,35) |
| InChIK | JFMHAFGTDQFCLC-UHFFFAOYSA-N |
| TotalMolweight | 618.324 |
| Molweight | 618.324 |
| MonoisotopicMass | 615.999715 |
| CLogP | 7.9638 |
| CLogS | -9.722 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 400.73 |
| Relative PSA | 0.13977 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4066 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - 2-(1-bromonaphthalen-2-yl)oxy-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide | 2 - 2-(1-bromonaphthalen-2-yl)oxy-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
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