2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-carbamoylacetamide

Formula:C19H15N4O3FS Mutagenic:low Tumorigenic:low Reproductive Effective:low 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-carbamoylacetamide is a drug-like molecule.

MolName2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-carbamoylacetamide
MolecularFormulaC19H15N4O3FS
SmilesNC(NC(CSC(N(C1=O)c(cc2)ccc2F)=N/C1=C\c1ccccc1)=O)=O
InChIInChI=1S/C19H15FN4O3S/c20-13-6-8-14(9-7-13)24-17(26)15(10-12-4-2-1-3-5-12)22-19(24)28-11-16(25)23-18(21)27/h1-10H,11H2,(H3,21,23,25,27)
InChIKGSDKHQYRALKFPF-UHFFFAOYSA-N
TotalMolweight398.417
Molweight398.417
MonoisotopicMass398.084889
CLogP1.8831
CLogS-5.462
H Acceptors7
H Donors2
TotalSurfaceArea288.33
Relative PSA0.34128
PolarSurfaceArea130.16
Druglikeness3.4325
Mutageniclow
Tumorigeniclow
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Amides3
StereoCon

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