N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
Formula:C19H15N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide |
| MolecularFormula | C19H15N4O3F3 |
| Smiles | O=C(Cn1c(cccc2)c2nc1C(F)(F)F)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C19H15F3N4O3/c20-19(21,22)18-24-13-3-1-2-4-14(13)26(18)11-17(27)25-23-10-12-5-6-15-16(9-12)29-8-7-28-15/h1-6,9-10H,7-8,11H2,(H,25,27) |
| InChIK | ZTLMJUCQEWEVFL-UHFFFAOYSA-N |
| TotalMolweight | 404.347 |
| Molweight | 404.347 |
| MonoisotopicMass | 404.109625 |
| CLogP | 3.1452 |
| CLogS | -3.306 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 286.79 |
| Relative PSA | 0.25751 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | -10.835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
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