N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
Formula:C29H22N4O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide |
| MolecularFormula | C29H22N4O4BrCl |
| Smiles | O=C(C(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C29H22BrClN4O4/c30-21-10-15-26(39-18-19-6-2-1-3-7-19)20(16-21)17-32-35-29(38)28(37)34-25-9-5-4-8-24(25)27(36)33-23-13-11-22(31)12-14-23/h1-17H,18H2,(H,33,36)(H,34,37)(H,35,38) |
| InChIK | LWGSIFBJPBNDPC-UHFFFAOYSA-N |
| TotalMolweight | 605.875 |
| Molweight | 605.875 |
| MonoisotopicMass | 604.051294 |
| CLogP | 5.9707 |
| CLogS | -7.948 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 422.74 |
| Relative PSA | 0.22475 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 1.6249 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58974 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide | 2 - N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]oxamide
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