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C24H19N6O3F3 | Cheminformatics
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N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Molecular 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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Request More Details | 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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