2-[4-[(E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethenyl]phenoxy]acetic acid

Formula:C20H18N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethenyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethenyl]phenoxy]acetic acid
MolecularFormula	C20H18N2O4S
Smiles	OC(COc1ccc(/C=C/C(N2)=Nc(sc3c4CCCC3)c4C2=O)cc1)=O
InChI	InChI=1S/C20H18N2O4S/c23-17(24)11-26-13-8-5-12(6-9-13)7-10-16-21-19(25)18-14-3-1-2-4-15(14)27-20(18)22-16/h5-10H,1-4,11H2,(H,23,24)(H,21,22,25)
InChIK	ARASARTYZPUTSU-UHFFFAOYSA-N
TotalMolweight	382.439
Molweight	382.439
MonoisotopicMass	382.098728
CLogP	2.835
CLogS	-4.62
H Acceptors	6
H Donors	2
TotalSurfaceArea	283.54
Relative PSA	0.32627
PolarSurfaceArea	116.23
Druglikeness	-0.15419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[4-[(E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethenyl]phenoxy]acetic acid | 2 - 2-[4-[(E)-2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)ethenyl]phenoxy]acetic acid

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