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C25H22N6O6S | Cheminformatics

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

Molecular Formula : C25H22N6O6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

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

MolecularFormula : C25H22N6O6S

Smiles : N=C(/C1=C/c(cc2)ccc2OCc(cccc2)c2[N+]([O-])=O)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C25H22N6O6S/c26-23-19(13-16-5-7-18(8-6-16)37-15-17-3-1-2-4-20(17)31(34)35)24(33)27-25-30(23)28-21(38-25)14-22(32)29-9-11-36-12-10-29/h1-8,13,26H,9-12,14-15H2

InChIK : SOTQEQWIYAARIK-UHFFFAOYSA-N

TotalMolweight : 534.552

Molweight : 534.552

MonoisotopicMass : 534.132154

CLogP : 0.9364

CLogS : -3.079

H Acceptors : 12

H Donors : 1

TotalSurfaceArea : 383.3

Relative PSA : 0.36449

PolarSurfaceArea : 178.77

Druglikeness : 1.5346

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB; aromatic nitro

Shape Index : 0.57895

Fragments : 1

Non HAtoms : 38

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 4

Amides : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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


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