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

C32H30N6O6 1-phenyl-3-[(E)-[4-[[3-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methylideneamino]urea | Chemryt

1-phenyl-3-[(E)-[4-[[3-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methylideneamino]urea

Molecular Formula : C32H30N6O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 1-phenyl-3-[(E)-[4-[[3-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methylideneamino]urea

MolecularFormula : C32H30N6O6

Smiles : O=C(Nc1ccccc1)N/N=C/c(cc1)ccc1OC1OCCOC1Oc1ccc(/C=N\NC(Nc2ccccc2)=O)cc1

InChI : InChI=1S/C32H30N6O6/c39-31(35-25-7-3-1-4-8-25)37-33-21-23-11-15-27(16-12-23)43-29-30(42-20-19-41-29)44-28-17-13-24(14-18-28)22-34-38-32(40)36-26-9-5-2-6-10-26/h1-18,21-22,29-30H,19-20H2,(H2,35,37,39)(H2,36,38,40)

InChIK : OZKLUQOFQLAQCL-UHFFFAOYSA-N

TotalMolweight : 594.626

Molweight : 594.626

MonoisotopicMass : 594.222684

CLogP : 5.9856

CLogS : -8.156

H Acceptors : 12

H Donors : 4

TotalSurfaceArea : 462.42

Relative PSA : 0.29181

PolarSurfaceArea : 143.9

Druglikeness : -3.2864

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 44

NonCHAtoms : 12

Electronegative Atoms : 12

StereoCenters : 2

Rotatable Bond : 10

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 8

Symmetricatoms : 8

Amides : 2

StereoCon : unknown chirality

Request More Details | 1-phenyl-3-[(E)-[4-[[3-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]methylideneamino]urea


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