N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
Formula:C28H22N2O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide |
| MolecularFormula | C28H22N2O3BrCl |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C28H22BrClN2O3/c29-24-11-5-20(6-12-24)19-35-27-4-2-1-3-23(27)17-31-32-28(33)22-9-15-26(16-10-22)34-18-21-7-13-25(30)14-8-21/h1-17H,18-19H2,(H,32,33) |
| InChIK | OTCCQFSBTFIBMK-UHFFFAOYSA-N |
| TotalMolweight | 549.851 |
| Molweight | 549.851 |
| MonoisotopicMass | 548.050231 |
| CLogP | 7.229 |
| CLogS | -7.973 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 388.08 |
| Relative PSA | 0.14433 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.2614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide | 2 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
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