Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C32H25N4O4F | Cheminformatics
Menu

N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide

Molecular Formula : C32H25N4O4F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide is not a drug-like molecule.

MolName : N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide

MolecularFormula : C32H25N4O4F

Smiles : O=C(c(cccc1)c1OCc(cc1)ccc1F)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2

InChI : InChI=1S/C32H25FN4O4/c33-25-13-10-22(11-14-25)21-41-28-9-5-4-8-27(28)32(38)35-34-19-24-20-37(26-6-2-1-3-7-26)36-31(24)23-12-15-29-30(18-23)40-17-16-39-29/h1-15,18-20H,16-17,21H2,(H,35,38)

InChIK : AUOTXUOPEBYSPJ-UHFFFAOYSA-N

TotalMolweight : 548.573

Molweight : 548.573

MonoisotopicMass : 548.185984

CLogP : 5.5483

CLogS : -7.071

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 418.36

Relative PSA : 0.20043

PolarSurfaceArea : 86.97

Druglikeness : -2.6675

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.5122

Fragments : 1

Non HAtoms : 41

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 8

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 5

Aromatic Atoms : 29

Sp3Atoms : 6

Symmetricatoms : 4

Aromatic Nitrogens : 2

StereoCon :

Click to Load Molecule:
1 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
2 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments