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

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

MolecularFormula : C25H24N3O5ClS

Smiles : O=C(CN(CCc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c(cc1)ccc1Cl

InChI : InChI=1S/C25H24ClN3O5S/c26-21-8-6-20(7-9-21)17-27-28-25(30)18-29(13-12-19-4-2-1-3-5-19)35(31,32)22-10-11-23-24(16-22)34-15-14-33-23/h1-11,16-17H,12-15,18H2,(H,28,30)

InChIK : CTZJVFRRDUVMMZ-UHFFFAOYSA-N

TotalMolweight : 514.001

Molweight : 514.001

MonoisotopicMass : 513.112519

CLogP : 4.4981

CLogS : -4.975

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 376.35

Relative PSA : 0.2342

PolarSurfaceArea : 105.68

Druglikeness : -0.28665

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.51429

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 5

Amides : 1

StereoCon :