2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide

Formula:C20H13N3OBrFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide is not a drug-like molecule.

MolName	2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
MolecularFormula	C20H13N3OBrFS2
Smiles	O=C(CSc1c(c(-c(cc2)ccc2Br)cs2)c2ncn1)Nc(cccc1)c1F
InChI	InChI=1S/C20H13BrFN3OS2/c21-13-7-5-12(6-8-13)14-9-27-19-18(14)20(24-11-23-19)28-10-17(26)25-16-4-2-1-3-15(16)22/h1-9,11H,10H2,(H,25,26)
InChIK	BEHFXPHCFCCPIS-UHFFFAOYSA-N
TotalMolweight	474.377
Molweight	474.377
MonoisotopicMass	472.966741
CLogP	5.0747
CLogS	-7.629
H Acceptors	4
H Donors	1
TotalSurfaceArea	306.28
Relative PSA	0.27521
PolarSurfaceArea	108.42
Druglikeness	-1.3105
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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