N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]acetamide
Formula:C19H15N4O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]acetamide |
| MolecularFormula | C19H15N4O2Cl3 |
| Smiles | O=C(COc1c(Cn(cn2)c(Cl)c2Cl)cccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H15Cl3N4O2/c20-15-7-5-13(6-8-15)9-24-25-17(27)11-28-16-4-2-1-3-14(16)10-26-12-23-18(21)19(26)22/h1-9,12H,10-11H2,(H,25,27) |
| InChIK | RGJLZYXJMZQFRN-UHFFFAOYSA-N |
| TotalMolweight | 437.713 |
| Molweight | 437.713 |
| MonoisotopicMass | 436.026057 |
| CLogP | 4.4398 |
| CLogS | -4.503 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 318.49 |
| Relative PSA | 0.20048 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 6.1517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]acetamide
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