2-ethoxyethyl (2S)-2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate

Formula:C21H24N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-ethoxyethyl (2S)-2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate is a drug-like molecule.

MolName	2-ethoxyethyl (2S)-2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate
MolecularFormula	C21H24N2O4S
Smiles	CCOCCOC([C@H](C)N(C=Nc1c2c(-c3ccc(C)cc3)c(C)s1)C2=O)=O
InChI	InChI=1S/C21H24N2O4S/c1-5-26-10-11-27-21(25)14(3)23-12-22-19-18(20(23)24)17(15(4)28-19)16-8-6-13(2)7-9-16/h6-9,12,14H,5,10-11H2,1-4H3/t14-/m0/s1
InChIK	GSAFABNFKZFRBE-AWEZNQCLSA-N
TotalMolweight	400.498
Molweight	400.498
MonoisotopicMass	400.145678
CLogP	3.4481
CLogS	-5.278
H Acceptors	6
TotalSurfaceArea	308.84
Relative PSA	0.26389
PolarSurfaceArea	96.44
Druglikeness	-2.6151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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