2-[4-[(Z)-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenoxy]acetic acid

Formula:C19H13N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(Z)-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenoxy]acetic acid
MolecularFormula	C19H13N3O4S2
Smiles	OC(COc1ccc(/C=N\N(C=Nc2c3c(-c4cccs4)cs2)C3=O)cc1)=O
InChI	InChI=1S/C19H13N3O4S2/c23-16(24)9-26-13-5-3-12(4-6-13)8-21-22-11-20-18-17(19(22)25)14(10-28-18)15-2-1-7-27-15/h1-8,10-11H,9H2,(H,23,24)
InChIK	KIEVEJHVFFIYTP-UHFFFAOYSA-N
TotalMolweight	411.461
Molweight	411.461
MonoisotopicMass	411.034747
CLogP	3.1887
CLogS	-5.649
H Acceptors	7
H Donors	1
TotalSurfaceArea	296.59
Relative PSA	0.3927
PolarSurfaceArea	148.04
Druglikeness	7.0356
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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