N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
Formula:C18H13N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide |
| MolecularFormula | C18H13N4O3F3 |
| Smiles | O=C(Cn1c(cccc2)c2nc1C(F)(F)F)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H13F3N4O3/c19-18(20,21)17-23-12-3-1-2-4-13(12)25(17)9-16(26)24-22-8-11-5-6-14-15(7-11)28-10-27-14/h1-8H,9-10H2,(H,24,26) |
| InChIK | NUVJYDJVWVBIEG-UHFFFAOYSA-N |
| TotalMolweight | 390.32 |
| Molweight | 390.32 |
| MonoisotopicMass | 390.093975 |
| CLogP | 3.2778 |
| CLogS | -3.835 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 273.03 |
| Relative PSA | 0.27048 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | -3.7746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
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