N-(2,5-dimethylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

Formula:C20H21N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-(2,5-dimethylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is a drug-like molecule.

MolName	N-(2,5-dimethylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
MolecularFormula	C20H21N3O2S2
Smiles	Cc1cc(C(N(CC=C)C(SCC(Nc2c(C)ccc(C)c2)=O)=N2)=O)c2s1
InChI	InChI=1S/C20H21N3O2S2/c1-5-8-23-19(25)15-10-14(4)27-18(15)22-20(23)26-11-17(24)21-16-9-12(2)6-7-13(16)3/h5-7,9-10H,1,8,11H2,2-4H3,(H,21,24)
InChIK	ANZVRHJHXRNJSS-UHFFFAOYSA-N
TotalMolweight	399.538
Molweight	399.538
MonoisotopicMass	399.107517
CLogP	4.0839
CLogS	-5.388
H Acceptors	5
H Donors	1
TotalSurfaceArea	302.02
Relative PSA	0.29948
PolarSurfaceArea	115.31
Druglikeness	2.9328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	2
StereoCon

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