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

MolecularFormula : C20H17N5O4

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

InChI : InChI=1S/C20H17N5O4/c21-19(26)20(27)23-22-11-14-12-25(15-4-2-1-3-5-15)24-18(14)13-6-7-16-17(10-13)29-9-8-28-16/h1-7,10-12H,8-9H2,(H2,21,26)(H,23,27)

InChIK : YLEGNTIMUMYWCP-UHFFFAOYSA-N

TotalMolweight : 391.386

Molweight : 391.386

MonoisotopicMass : 391.128055

CLogP : 0.9815

CLogS : -3.797

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 295

Relative PSA : 0.34631

PolarSurfaceArea : 120.83

Druglikeness : -3.4943

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide

Shape Index : 0.48276

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

StereoCon :