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

Formula:C32H28N4O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
MolName2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormulaC32H28N4O3S2
SmilesO=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\c(cc1)ccc1OCc1ccccc1
InChIInChI=1S/C32H28N4O3S2/c37-28(35-33-19-22-15-17-25(18-16-22)39-20-23-9-3-1-4-10-23)21-40-32-34-30-29(26-13-7-8-14-27(26)41-30)31(38)36(32)24-11-5-2-6-12-24/h1-6,9-12,15-19H,7-8,13-14,20-21H2,(H,35,37)
InChIKXBBBQHWRWUFWAN-UHFFFAOYSA-N
TotalMolweight580.731
Molweight580.731
MonoisotopicMass580.160281
CLogP6.7716
CLogS-8.718
H Acceptors7
H Donors1
TotalSurfaceArea436.52
Relative PSA0.25648
PolarSurfaceArea136.9
Druglikeness2.2317
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.56098
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms8
Symmetricatoms6
Amides1
StereoCon

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