N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
Formula:C29H22N2O4F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C29H22N2O4F4 |
| Smiles | O=C(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C29H22F4N2O4/c30-28(31)38-23-15-14-22(26(16-23)39-29(32)33)17-34-35-27(36)21-12-10-19(11-13-21)18-37-25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-17,28-29H,18H2,(H,35,36) |
| InChIK | BILABMBKMGAUCH-UHFFFAOYSA-N |
| TotalMolweight | 538.496 |
| Molweight | 538.496 |
| MonoisotopicMass | 538.15157 |
| CLogP | 6.5477 |
| CLogS | -8.392 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 400.67 |
| Relative PSA | 0.16475 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 1.237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58974 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
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