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N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Formula:C25H20N4O2ClFS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
MolecularFormulaC25H20N4O2ClFS2
SmilesO=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\c(c(F)ccc1)c1Cl
InChIInChI=1S/C25H20ClFN4O2S2/c26-18-10-6-11-19(27)17(18)13-28-30-21(32)14-34-25-29-23-22(16-9-4-5-12-20(16)35-23)24(33)31(25)15-7-2-1-3-8-15/h1-3,6-8,10-11,13H,4-5,9,12,14H2,(H,30,32)
InChIKSQXBVPDHIAIXOP-UHFFFAOYSA-N
TotalMolweight527.043
Molweight527.043
MonoisotopicMass526.070021
CLogP6.1303
CLogS-8.427
H Acceptors6
H Donors1
TotalSurfaceArea374.77
Relative PSA0.27206
PolarSurfaceArea127.67
Druglikeness1.1512
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms2
Amides1
StereoCon

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