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C22H22N4O7S2 | Cheminformatics
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3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide

Molecular Formula : C22H22N4O7S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide is not a drug-like molecule.

MolName : 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide

MolecularFormula : C22H22N4O7S2

Smiles : O=C(CCNS(c(cc1)cc2c1OCCO2)(=O)=O)NCCN(C(/C(/S1)=C/c2cnccc2)=O)C1=O

InChI : InChI=1S/C22H22N4O7S2/c27-20(5-7-25-35(30,31)16-3-4-17-18(13-16)33-11-10-32-17)24-8-9-26-21(28)19(34-22(26)29)12-15-2-1-6-23-14-15/h1-4,6,12-14,25H,5,7-11H2,(H,24,27)

InChIK : LNNFOEOMMUIRDX-UHFFFAOYSA-N

TotalMolweight : 518.57

Molweight : 518.57

MonoisotopicMass : 518.092991

CLogP : 0.8787

CLogS : -2.996

H Acceptors : 11

H Donors : 2

TotalSurfaceArea : 364.59

Relative PSA : 0.39121

PolarSurfaceArea : 177.68

Druglikeness : -0.37047

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.62857

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 1

Amides : 3

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide
2 - 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide
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Request More Details | 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]propanamide


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