N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
Formula:C24H15N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide |
| MolecularFormula | C24H15N4O5Br |
| Smiles | N#Cc1c(COc(ccc(/C=N\NC(c2cc(cc(cc3)[N+]([O-])=O)c3o2)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C24H15BrN4O5/c25-20-9-15(5-7-22(20)33-14-17-4-2-1-3-16(17)12-26)13-27-28-24(30)23-11-18-10-19(29(31)32)6-8-21(18)34-23/h1-11,13H,14H2,(H,28,30) |
| InChIK | VOFRTACVAPQOPC-UHFFFAOYSA-N |
| TotalMolweight | 519.31 |
| Molweight | 519.31 |
| MonoisotopicMass | 518.022582 |
| CLogP | 4.6945 |
| CLogS | -8.312 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 358.81 |
| Relative PSA | 0.29013 |
| PolarSurfaceArea | 133.44 |
| Druglikeness | -6.645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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