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(6E)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C15H9N4O2BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
MolName(6E)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC15H9N4O2BrS2
SmilesN=C(/C1=C\c(o2)ccc2Br)N2N=C(Cc3cccs3)SC2=NC1=O
InChIInChI=1S/C15H9BrN4O2S2/c16-11-4-3-8(22-11)6-10-13(17)20-15(18-14(10)21)24-12(19-20)7-9-2-1-5-23-9/h1-6,17H,7H2
InChIKZLHQTXHDPDPBDL-UHFFFAOYSA-N
TotalMolweight421.298
Molweight421.298
MonoisotopicMass419.935027
CLogP1.88
CLogS-3.26
H Acceptors6
H Donors1
TotalSurfaceArea260.54
Relative PSA0.41134
PolarSurfaceArea135.56
Druglikeness3.1304
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.58333
Fragments1
Non HAtoms24
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms2
BasicNitrogens1
StereoCon

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