2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide

Formula:C21H23N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide is a drug-like molecule.

MolName	2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
MolecularFormula	C21H23N3O2S2
Smiles	Cc1c(C)sc(N=C(N2CC=C)SCC(Nc3c(C)cccc3C)=O)c1C2=O
InChI	InChI=1S/C21H23N3O2S2/c1-6-10-24-20(26)17-14(4)15(5)28-19(17)23-21(24)27-11-16(25)22-18-12(2)8-7-9-13(18)3/h6-9H,1,10-11H2,2-5H3,(H,22,25)
InChIK	BBKFUGBWNVGGII-UHFFFAOYSA-N
TotalMolweight	413.565
Molweight	413.565
MonoisotopicMass	413.123167
CLogP	4.4278
CLogS	-5.732
H Acceptors	5
H Donors	1
TotalSurfaceArea	314.28
Relative PSA	0.2878
PolarSurfaceArea	115.31
Druglikeness	1.1555
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	3
Amides	2
StereoCon

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