2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide

Formula:C22H18N4O5S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide is a drug-like molecule.

MolName2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
MolecularFormulaC22H18N4O5S2
SmilesNS(c(cc1)ccc1NC(CSC(N(C1=O)c2ccccc2)=N/C1=C\c1ccco1)=O)(=O)=O
InChIInChI=1S/C22H18N4O5S2/c23-33(29,30)18-10-8-15(9-11-18)24-20(27)14-32-22-25-19(13-17-7-4-12-31-17)21(28)26(22)16-5-2-1-3-6-16/h1-13H,14H2,(H,24,27)(H2,23,29,30)
InChIKNOOGSSDHPGUPFA-UHFFFAOYSA-N
TotalMolweight482.54
Molweight482.54
MonoisotopicMass482.071861
CLogP2.0095
CLogS-5.691
H Acceptors9
H Donors2
TotalSurfaceArea342.26
Relative PSA0.37413
PolarSurfaceArea168.75
Druglikeness6.9962
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms5
Amides3
StereoCon

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