2-[(E)-2-(furan-2-yl)ethenyl]-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

Formula:C18H14N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(furan-2-yl)ethenyl]-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(furan-2-yl)ethenyl]-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
MolecularFormula	C18H14N2O2S
Smiles	O=C1NC(/C=C/c2ccco2)Nc2c1c(-c1ccccc1)cs2
InChI	InChI=1S/C18H14N2O2S/c21-17-16-14(12-5-2-1-3-6-12)11-23-18(16)20-15(19-17)9-8-13-7-4-10-22-13/h1-11,15,20H,(H,19,21)/t15-/m1/s1
InChIK	NISUDNZJUSBUBB-OAHLLOKOSA-N
TotalMolweight	322.387
Molweight	322.387
MonoisotopicMass	322.077598
CLogP	3.5777
CLogS	-5.506
H Acceptors	4
H Donors	2
TotalSurfaceArea	244.58
Relative PSA	0.28796
PolarSurfaceArea	82.51
Druglikeness	3.7805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon	racemate

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1 - 2-[(E)-2-(furan-2-yl)ethenyl]-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one | 2 - 2-[(E)-2-(furan-2-yl)ethenyl]-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

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