N,N'-bis[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide
Formula:C24H17N5O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide |
| MolecularFormula | C24H17N5O4Br2 |
| Smiles | [O-][N+](c1ccc(C=C(C(N/N=C\c2cc(Br)ccc2)=O)C(N/N=C\c2cccc(Br)c2)=O)cc1)=O |
| InChI | InChI=1S/C24H17Br2N5O4/c25-19-5-1-3-17(11-19)14-27-29-23(32)22(13-16-7-9-21(10-8-16)31(34)35)24(33)30-28-15-18-4-2-6-20(26)12-18/h1-15H,(H,29,32)(H,30,33) |
| InChIK | ZYCHNYPKSQXKFM-UHFFFAOYSA-N |
| TotalMolweight | 599.238 |
| Molweight | 599.238 |
| MonoisotopicMass | 596.964727 |
| CLogP | 5.4466 |
| CLogS | -7.91 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 386.36 |
| Relative PSA | 0.26514 |
| PolarSurfaceArea | 128.74 |
| Druglikeness | -1.3506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 14 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N,N'-bis[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide | 2 - N,N'-bis[(Z)-(3-bromophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide
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