2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C19H16N2O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C19H16N2O2F2S
Smiles	O=C1NC(/C=C/c(cc2)ccc2OC(F)F)=Nc2c1c(CCCC1)c1s2
InChI	InChI=1S/C19H16F2N2O2S/c20-19(21)25-12-8-5-11(6-9-12)7-10-15-22-17(24)16-13-3-1-2-4-14(13)26-18(16)23-15/h5-10,19H,1-4H2,(H,22,23,24)
InChIK	JUCJLVHAFWSZLS-UHFFFAOYSA-N
TotalMolweight	374.41
Molweight	374.41
MonoisotopicMass	374.090054
CLogP	3.9444
CLogS	-5.449
H Acceptors	4
H Donors	1
TotalSurfaceArea	270.88
Relative PSA	0.24502
PolarSurfaceArea	78.93
Druglikeness	-3.1407
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	3
Amides	1
StereoCon

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1 - 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

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