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

Formula:C25H22N5O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[4-[(4-chlorophenyl)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-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC25H22N5O3ClS
SmilesN=C(/C1=C/c(cc2)ccc2OCc(cc2)ccc2Cl)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O
InChIInChI=1S/C25H22ClN5O3S/c26-18-7-3-17(4-8-18)15-34-19-9-5-16(6-10-19)13-20-23(27)31-25(28-24(20)33)35-21(29-31)14-22(32)30-11-1-2-12-30/h3-10,13,27H,1-2,11-12,14-15H2
InChIKLSMMEYYXZRJCEJ-UHFFFAOYSA-N
TotalMolweight508.001
Molweight508.001
MonoisotopicMass507.113187
CLogP2.7036
CLogS-3.974
H Acceptors8
H Donors1
TotalSurfaceArea365.05
Relative PSA0.27199
PolarSurfaceArea123.72
Druglikeness7.1823
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.62857
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms6
Amides1
BasicNitrogens1
StereoCon

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