N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C24H19N6O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C24H19N6O3F3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C24H19F3N6O3/c25-24(26,27)21-8-9-32(30-21)15-22(34)29-28-13-17-14-33(18-4-2-1-3-5-18)31-23(17)16-6-7-19-20(12-16)36-11-10-35-19/h1-9,12-14H,10-11,15H2,(H,29,34) |
| InChIK | ULTYGRQICCPWLW-UHFFFAOYSA-N |
| TotalMolweight | 496.448 |
| Molweight | 496.448 |
| MonoisotopicMass | 496.147073 |
| CLogP | 2.5586 |
| CLogS | -4.452 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 359.67 |
| Relative PSA | 0.25493 |
| PolarSurfaceArea | 95.56 |
| Druglikeness | -12.331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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