C17H16N3O2FS2 | Cheminformatics

N-(2-fluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

Formula:C17H16N3O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-fluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is a drug-like molecule.

MolNameN-(2-fluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
MolecularFormulaC17H16N3O2FS2
SmilesCc1c(C)sc(N=C(N2C)SCC(Nc(cccc3)c3F)=O)c1C2=O
InChIInChI=1S/C17H16FN3O2S2/c1-9-10(2)25-15-14(9)16(23)21(3)17(20-15)24-8-13(22)19-12-7-5-4-6-11(12)18/h4-7H,8H2,1-3H3,(H,19,22)
InChIKLFKASQGFFGBUSG-UHFFFAOYSA-N
TotalMolweight377.463
Molweight377.463
MonoisotopicMass377.066795
CLogP3.1656
CLogS-4.849
H Acceptors5
H Donors1
TotalSurfaceArea270.07
Relative PSA0.33491
PolarSurfaceArea115.31
Druglikeness2.0538
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.56
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms5
Amides2
StereoCon

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