N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
Formula:C28H19N3O4F4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide |
| MolecularFormula | C28H19N3O4F4 |
| Smiles | O=C(c1ccc(CN(c2cccc3cccc4c23)C4=O)cc1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C28H19F4N3O4/c29-27(30)38-20-12-11-19(23(13-20)39-28(31)32)14-33-34-25(36)18-9-7-16(8-10-18)15-35-22-6-2-4-17-3-1-5-21(24(17)22)26(35)37/h1-14,27-28H,15H2,(H,34,36) |
| InChIK | XHVJQRHSQQWGSP-UHFFFAOYSA-N |
| TotalMolweight | 537.468 |
| Molweight | 537.468 |
| MonoisotopicMass | 537.131169 |
| CLogP | 5.6316 |
| CLogS | -8.296 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 380.06 |
| Relative PSA | 0.19102 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 3.4551 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
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