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

C26H23N5O6S | Cheminformatics

(6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula : C26H23N5O6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName : (6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

MolecularFormula : C26H23N5O6S

Smiles : N=C(/C1=C/c(cc2)ccc2OCc(cc2)cc3c2OCO3)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C26H23N5O6S/c27-24-19(25(33)28-26-31(24)29-22(38-26)13-23(32)30-7-9-34-10-8-30)11-16-1-4-18(5-2-16)35-14-17-3-6-20-21(12-17)37-15-36-20/h1-6,11-12,27H,7-10,13-15H2

InChIK : GKMRWFSKCTZRRQ-UHFFFAOYSA-N

TotalMolweight : 533.564

Molweight : 533.564

MonoisotopicMass : 533.136905

CLogP : 1.387

CLogS : -3.33

H Acceptors : 11

H Donors : 1

TotalSurfaceArea : 379.89

Relative PSA : 0.34034

PolarSurfaceArea : 151.41

Druglikeness : 6.5098

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.60526

Fragments : 1

Non HAtoms : 38

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 12

Symmetricatoms : 4

Amides : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (6Z)-6-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments