N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2-bromo-4-chlorophenoxy)acetamide
Formula:C24H19N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2-bromo-4-chlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2-bromo-4-chlorophenoxy)acetamide |
| MolecularFormula | C24H19N3O2BrCl |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H19BrClN3O2/c25-21-12-19(26)10-11-23(21)31-16-24(30)28-27-13-18-15-29(14-17-6-2-1-3-7-17)22-9-5-4-8-20(18)22/h1-13,15H,14,16H2,(H,28,30) |
| InChIK | HAWPZCOUXYBCTG-UHFFFAOYSA-N |
| TotalMolweight | 496.791 |
| Molweight | 496.791 |
| MonoisotopicMass | 495.034915 |
| CLogP | 5.6374 |
| CLogS | -6.049 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 342.12 |
| Relative PSA | 0.15457 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 4.1685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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