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C22H19N5O4S | Cheminformatics

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

Molecular Formula : C22H19N5O4S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

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

MolecularFormula : C22H19N5O4S

Smiles : N=C(/C1=C/c2ccc(-c3ccccc3)o2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C22H19N5O4S/c23-20-16(12-15-6-7-17(31-15)14-4-2-1-3-5-14)21(29)24-22-27(20)25-18(32-22)13-19(28)26-8-10-30-11-9-26/h1-7,12,23H,8-11,13H2

InChIK : PHIIUFYSERMMCS-UHFFFAOYSA-N

TotalMolweight : 449.49

Molweight : 449.49

MonoisotopicMass : 449.115775

CLogP : 0.8664

CLogS : -2.738

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 325.56

Relative PSA : 0.34832

PolarSurfaceArea : 136.86

Druglikeness : 7.2592

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.59375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

BasicNitrogens : 1

StereoCon :

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


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