N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

Formula:C26H19N3O5S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is not a drug-like molecule.

MolName	N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
MolecularFormula	C26H19N3O5S2
Smiles	Cc1ccc(-c2csc(N=C(N3c4ccccc4)SCC(Nc(cc4)cc5c4OCO5)=O)c2C3=O)o1
InChI	InChI=1S/C26H19N3O5S2/c1-15-7-9-19(34-15)18-12-35-24-23(18)25(31)29(17-5-3-2-4-6-17)26(28-24)36-13-22(30)27-16-8-10-20-21(11-16)33-14-32-20/h2-12H,13-14H2,1H3,(H,27,30)
InChIK	NBVXXMCULPLFGQ-UHFFFAOYSA-N
TotalMolweight	517.585
Molweight	517.585
MonoisotopicMass	517.076612
CLogP	5.1842
CLogS	-8.097
H Acceptors	8
H Donors	1
TotalSurfaceArea	368.67
Relative PSA	0.33786
PolarSurfaceArea	146.91
Druglikeness	3.1583
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide | 2 - N-(1,3-benzodioxol-5-yl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

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