4-[(4-bromophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C28H22N2O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(4-bromophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-bromophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C28H22N2O3BrCl |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Br)N/N=C\c(cccc1)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C28H22BrClN2O3/c29-24-13-9-20(10-14-24)18-34-25-15-11-21(12-16-25)28(33)32-31-17-22-5-2-4-8-27(22)35-19-23-6-1-3-7-26(23)30/h1-17H,18-19H2,(H,32,33) |
| InChIK | QJHIPUMSEKOKEU-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 | 0.65714 |
| 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 | 4 |
| StereoCon |
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1 - 4-[(4-bromophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide | 2 - 4-[(4-bromophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
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