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

Formula:C18H15N2OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2-bromophenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(2-bromophenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C18H15N2OBrS
Smiles	O=C1NC(/C=C/c(cccc2)c2Br)=Nc2c1c(CCCC1)c1s2
InChI	InChI=1S/C18H15BrN2OS/c19-13-7-3-1-5-11(13)9-10-15-20-17(22)16-12-6-2-4-8-14(12)23-18(16)21-15/h1,3,5,7,9-10H,2,4,6,8H2,(H,20,21,22)
InChIK	JLYYRIQGLVTFMZ-UHFFFAOYSA-N
TotalMolweight	387.3
Molweight	387.3
MonoisotopicMass	386.008844
CLogP	4.5002
CLogS	-5.661
H Acceptors	3
H Donors	1
TotalSurfaceArea	254.31
Relative PSA	0.22166
PolarSurfaceArea	69.7
Druglikeness	-2.0984
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
StereoCon

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

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