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2-[2-[(Z)-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate

Formula:C27H23N4O5S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate is not a drug-like molecule.
MolName2-[2-[(Z)-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
MolecularFormulaC27H23N4O5S2
Smiles[O-]C(COc1c(/C=N\NC(CSC(N2c3ccccc3)=Nc(sc3c4CCCC3)c4C2=O)=O)cccc1)=O
InChIInChI=1S/C27H24N4O5S2/c32-22(30-28-14-17-8-4-6-12-20(17)36-15-23(33)34)16-37-27-29-25-24(19-11-5-7-13-21(19)38-25)26(35)31(27)18-9-2-1-3-10-18/h1-4,6,8-10,12,14H,5,7,11,13,15-16H2,(H,30,32)(H,33,34)/p-1
InChIKKGSYMESHBPIOGG-UHFFFAOYSA-M
TotalMolweight547.635
Molweight547.635
MonoisotopicMass547.110986
CLogP2.4075
CLogS-7.17
H Acceptors9
H Donors1
TotalSurfaceArea402.04
Relative PSA0.34643
PolarSurfaceArea177.03
Druglikeness2.4543
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms9
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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