(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C15H8N2O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormulaC15H8N2O3ClFS
SmilesO=C(/C(/C(N1c(cc2)ccc2F)=O)=C/c(s2)ccc2Cl)NC1=O
InChIInChI=1S/C15H8ClFN2O3S/c16-12-6-5-10(23-12)7-11-13(20)18-15(22)19(14(11)21)9-3-1-8(17)2-4-9/h1-7H,(H,18,20,22)
InChIKCBTFHPQKIMQSHK-UHFFFAOYSA-N
TotalMolweight350.757
Molweight350.757
MonoisotopicMass349.992818
CLogP2.9335
CLogS-4.964
H Acceptors5
H Donors1
TotalSurfaceArea236.95
Relative PSA0.31437
PolarSurfaceArea94.72
Druglikeness4.4216
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.56522
Fragments1
Non HAtoms23
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Symmetricatoms2
Amides2
StereoCon

Request More Details | (5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments