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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)-(3-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)-(3-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)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormulaC32H28N4O3S2
SmilesO=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\c1cc(OCc2ccccc2)ccc1
InChIInChI=1S/C32H28N4O3S2/c37-28(35-33-19-23-12-9-15-25(18-23)39-20-22-10-3-1-4-11-22)21-40-32-34-30-29(26-16-7-8-17-27(26)41-30)31(38)36(32)24-13-5-2-6-14-24/h1-6,9-15,18-19H,7-8,16-17,20-21H2,(H,35,37)
InChIKCQNWUKVXVUEHLX-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 Index0.53659
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms8
Symmetricatoms4
Amides1
StereoCon

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