5,6-dimethyl-2-(2-oxopropylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one

Formula:C17H16N2O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5,6-dimethyl-2-(2-oxopropylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	5,6-dimethyl-2-(2-oxopropylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C17H16N2O2S2
Smiles	CC(CSC(N1c2ccccc2)=Nc(sc(C)c2C)c2C1=O)=O
InChI	InChI=1S/C17H16N2O2S2/c1-10(20)9-22-17-18-15-14(11(2)12(3)23-15)16(21)19(17)13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChIK	UWZWNVGTJDXBCB-UHFFFAOYSA-N
TotalMolweight	344.458
Molweight	344.458
MonoisotopicMass	344.065318
CLogP	3.5753
CLogS	-5.328
H Acceptors	4
TotalSurfaceArea	252.26
Relative PSA	0.31313
PolarSurfaceArea	103.28
Druglikeness	2.101
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43478
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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