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MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

MolecularFormula : C20H17N3O5S2

Smiles : O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C20H17N3O5S2/c24-20(22-21-13-14-3-8-17-18(12-14)28-10-9-27-17)15-4-6-16(7-5-15)23-30(25,26)19-2-1-11-29-19/h1-8,11-13,23H,9-10H2,(H,22,24)

InChIK : IAQVVGVBCSPBBS-UHFFFAOYSA-N

TotalMolweight : 443.503

Molweight : 443.503

MonoisotopicMass : 443.060962

CLogP : 3.4686

CLogS : -5.153

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 316.75

Relative PSA : 0.36751

PolarSurfaceArea : 142.71

Druglikeness : -0.62166

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.63333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

Symmetricatoms : 3

Amides : 1

StereoCon :