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

Formula:C18H16N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C18H16N2OS
Smiles	O=C1NC(/C=C/c2ccccc2)=Nc2c1c(CCCC1)c1s2
InChI	InChI=1S/C18H16N2OS/c21-17-16-13-8-4-5-9-14(13)22-18(16)20-15(19-17)11-10-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20,21)
InChIK	VLORCJSLBLQLOO-UHFFFAOYSA-N
TotalMolweight	308.404
Molweight	308.404
MonoisotopicMass	308.098333
CLogP	3.775
CLogS	-4.827
H Acceptors	3
H Donors	1
TotalSurfaceArea	235.68
Relative PSA	0.23918
PolarSurfaceArea	69.7
Druglikeness	-0.30839
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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

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