N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]propanediamide
Formula:C31H26N4O4Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]propanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]propanediamide |
| MolecularFormula | C31H26N4O4Br2 |
| Smiles | O=C(CC(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C31H26Br2N4O4/c32-26-11-13-28(40-20-22-7-3-1-4-8-22)24(15-26)18-34-36-30(38)17-31(39)37-35-19-25-16-27(33)12-14-29(25)41-21-23-9-5-2-6-10-23/h1-16,18-19H,17,20-21H2,(H,36,38)(H,37,39) |
| InChIK | NKIWJMAJRZOVPB-UHFFFAOYSA-N |
| TotalMolweight | 678.379 |
| Molweight | 678.379 |
| MonoisotopicMass | 676.032078 |
| CLogP | 7.1394 |
| CLogS | -8.738 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 459.02 |
| Relative PSA | 0.20047 |
| PolarSurfaceArea | 101.38 |
| Druglikeness | -0.64143 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60976 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 12 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 22 |
| StereoCon |
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1 - N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]propanediamide | 2 - N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]propanediamide
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