N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C14H11N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C14H11N4O3F3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C14H11F3N4O3/c15-14(16,17)12-3-4-21(20-12)7-13(22)19-18-6-9-1-2-10-11(5-9)24-8-23-10/h1-6H,7-8H2,(H,19,22) |
| InChIK | QCVIGVDAUAECMV-UHFFFAOYSA-N |
| TotalMolweight | 340.26 |
| Molweight | 340.26 |
| MonoisotopicMass | 340.078325 |
| CLogP | 1.7722 |
| CLogS | -3.468 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 238.43 |
| Relative PSA | 0.30973 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | -5.5624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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