C17H14N5OFS | Cheminformatics

2-[[4-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide

Formula:C17H14N5OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide is a drug-like molecule.

MolName2-[[4-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide
MolecularFormulaC17H14N5OFS
SmilesNC(CSc1nnc2n1c(cccc1)c1n2Cc(cccc1)c1F)=O
InChIInChI=1S/C17H14FN5OS/c18-12-6-2-1-5-11(12)9-22-13-7-3-4-8-14(13)23-16(22)20-21-17(23)25-10-15(19)24/h1-8H,9-10H2,(H2,19,24)
InChIKDJGLQEKAZOZURJ-UHFFFAOYSA-N
TotalMolweight355.396
Molweight355.396
MonoisotopicMass355.090308
CLogP1.7663
CLogS-2.722
H Acceptors6
H Donors1
TotalSurfaceArea257.22
Relative PSA0.32097
PolarSurfaceArea103.51
Druglikeness2.755
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.52
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms18
Sp3Atoms3
Amides1
Aromatic Nitrogens4
StereoCon

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