2-[(E)-2-(furan-2-yl)ethenyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C16H16N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(furan-2-yl)ethenyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(furan-2-yl)ethenyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C16H16N2O2S
Smiles	O=C1NC(/C=C/c2ccco2)Nc2c1c(CCCC1)c1s2
InChI	InChI=1S/C16H16N2O2S/c19-15-14-11-5-1-2-6-12(11)21-16(14)18-13(17-15)8-7-10-4-3-9-20-10/h3-4,7-9,13,18H,1-2,5-6H2,(H,17,19)/t13-/m1/s1
InChIK	QGLHFVVASCVTLO-CYBMUJFWSA-N
TotalMolweight	300.381
Molweight	300.381
MonoisotopicMass	300.093248
CLogP	3.1575
CLogS	-4.622
H Acceptors	4
H Donors	2
TotalSurfaceArea	226.36
Relative PSA	0.31114
PolarSurfaceArea	82.51
Druglikeness	-0.49474
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Amides	1
StereoCon	racemate

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1 - 2-[(E)-2-(furan-2-yl)ethenyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 2-[(E)-2-(furan-2-yl)ethenyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

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