N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C18H16N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C18H16N3O3F3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C18H16F3N3O3/c19-18(20,21)13-2-1-3-14(9-13)22-11-17(25)24-23-10-12-4-5-15-16(8-12)27-7-6-26-15/h1-5,8-10,22H,6-7,11H2,(H,24,25) |
| InChIK | OCMFDEWEUREQPD-UHFFFAOYSA-N |
| TotalMolweight | 379.337 |
| Molweight | 379.337 |
| MonoisotopicMass | 379.114376 |
| CLogP | 3.3206 |
| CLogS | -4.503 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 275.69 |
| Relative PSA | 0.24473 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -9.404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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