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C25H22N5O4ClS | Cheminformatics

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

Molecular Formula : C25H22N5O4ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(6Z)-6-[[4-[(4-chlorophenyl)methoxy]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-[(4-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

MolecularFormula : C25H22N5O4ClS

Smiles : N=C(/C1=C/c(cc2)ccc2OCc(cc2)ccc2Cl)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O

InChI : InChI=1S/C25H22ClN5O4S/c26-18-5-1-17(2-6-18)15-35-19-7-3-16(4-8-19)13-20-23(27)31-25(28-24(20)33)36-21(29-31)14-22(32)30-9-11-34-12-10-30/h1-8,13,27H,9-12,14-15H2

InChIK : NLXCMFONYVMNAU-UHFFFAOYSA-N

TotalMolweight : 524

Molweight : 524

MonoisotopicMass : 523.108102

CLogP : 1.8816

CLogS : -3.355

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 375.05

Relative PSA : 0.2914

PolarSurfaceArea : 132.95

Druglikeness : 6.574

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.63889

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 6

Amides : 1

BasicNitrogens : 1

StereoCon :

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


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