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MolName : 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide

MolecularFormula : C22H20N4O5S

Smiles : O=C(CN(c1ncccc1)S(c1ccccc1)(=O)=O)N/N=C\c1c2OCCOc2ccc1

InChI : InChI=1S/C22H20N4O5S/c27-21(25-24-15-17-7-6-10-19-22(17)31-14-13-30-19)16-26(20-11-4-5-12-23-20)32(28,29)18-8-2-1-3-9-18/h1-12,15H,13-14,16H2,(H,25,27)

InChIK : PDIPGICHTHCXDC-UHFFFAOYSA-N

TotalMolweight : 452.49

Molweight : 452.49

MonoisotopicMass : 452.115441

CLogP : 2.3801

CLogS : -4.838

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 332.17

Relative PSA : 0.29837

PolarSurfaceArea : 118.57

Druglikeness : -7.0004

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

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

Shape Index : 0.5

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 3

Amides : 1

Aromatic Nitrogens : 1

StereoCon :