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N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Formula:C25H22N4O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is a drug-like molecule.
MolNameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
MolecularFormulaC25H22N4O3S2
SmilesO=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\C=C\c1ccco1
InChIInChI=1S/C25H22N4O3S2/c30-21(28-26-14-6-10-18-11-7-15-32-18)16-33-25-27-23-22(19-12-4-5-13-20(19)34-23)24(31)29(25)17-8-2-1-3-9-17/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,28,30)
InChIKJSQKDJUYJMRPCT-UHFFFAOYSA-N
TotalMolweight490.607
Molweight490.607
MonoisotopicMass490.113331
CLogP4.6305
CLogS-7.351
H Acceptors7
H Donors1
TotalSurfaceArea369.19
Relative PSA0.31439
PolarSurfaceArea140.81
Druglikeness2.3079
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms6
Symmetricatoms2
Amides1
StereoCon

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