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MolName : 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide

MolecularFormula : C24H22N3O5FS

Smiles : O=C(CN(Cc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c(cc1)ccc1F

InChI : InChI=1S/C24H22FN3O5S/c25-20-8-6-18(7-9-20)15-26-27-24(29)17-28(16-19-4-2-1-3-5-19)34(30,31)21-10-11-22-23(14-21)33-13-12-32-22/h1-11,14-15H,12-13,16-17H2,(H,27,29)

InChIK : JIVJNOHXXSKWSA-UHFFFAOYSA-N

TotalMolweight : 483.519

Molweight : 483.519

MonoisotopicMass : 483.12642

CLogP : 3.5628

CLogS : -4.441

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 353.52

Relative PSA : 0.24932

PolarSurfaceArea : 105.68

Druglikeness : -2.1354

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 5

Amides : 1

StereoCon :