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(6Z)-6-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C25H21N5O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
MolName(6Z)-6-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC25H21N5O3ClFS
SmilesN=C(/C1=C/c(cc2)cc(Cl)c2OCc(cc2)ccc2F)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O
InChIInChI=1S/C25H21ClFN5O3S/c26-19-12-16(5-8-20(19)35-14-15-3-6-17(27)7-4-15)11-18-23(28)32-25(29-24(18)34)36-21(30-32)13-22(33)31-9-1-2-10-31/h3-8,11-12,28H,1-2,9-10,13-14H2
InChIKYPRJISSYIVWQSU-UHFFFAOYSA-N
TotalMolweight525.991
Molweight525.991
MonoisotopicMass525.103765
CLogP2.8044
CLogS-4.288
H Acceptors8
H Donors1
TotalSurfaceArea371.4
Relative PSA0.26734
PolarSurfaceArea123.72
Druglikeness5.8423
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.61111
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amides1
BasicNitrogens1
StereoCon

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