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

Formula:C25H22N5O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[4-[(4-fluorophenyl)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-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC25H22N5O4FS
SmilesN=C(/C1=C/c(cc2)ccc2OCc(cc2)ccc2F)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O
InChIInChI=1S/C25H22FN5O4S/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
InChIKKWTJJBXWBGAQIN-UHFFFAOYSA-N
TotalMolweight507.545
Molweight507.545
MonoisotopicMass507.137653
CLogP1.3764
CLogS-2.933
H Acceptors9
H Donors1
TotalSurfaceArea365.98
Relative PSA0.29862
PolarSurfaceArea132.95
Druglikeness5.192
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.63889
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms6
Amides1
BasicNitrogens1
StereoCon

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