N-(2-cyanophenyl)-2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide

Formula:C23H16N4O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(2-cyanophenyl)-2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide is a drug-like molecule.

MolNameN-(2-cyanophenyl)-2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
MolecularFormulaC23H16N4O3S
SmilesN#Cc(cccc1)c1NC(CSC(N(C1=O)c2ccccc2)=N/C1=C\c1ccco1)=O
InChIInChI=1S/C23H16N4O3S/c24-14-16-7-4-5-11-19(16)25-21(28)15-31-23-26-20(13-18-10-6-12-30-18)22(29)27(23)17-8-2-1-3-9-17/h1-13H,15H2,(H,25,28)
InChIKDTVNEIQETQMERL-UHFFFAOYSA-N
TotalMolweight428.471
Molweight428.471
MonoisotopicMass428.094311
CLogP3.0811
CLogS-6.565
H Acceptors7
H Donors1
TotalSurfaceArea326.87
Relative PSA0.29908
PolarSurfaceArea124
Druglikeness-0.50056
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48387
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms2
Amides2
StereoCon

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