3-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C15H12N3O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C15H12N3O2BrS
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c(o1)ccc1Br
InChI	InChI=1S/C15H12BrN3O2S/c16-12-6-5-9(21-12)7-18-19-8-17-14-13(15(19)20)10-3-1-2-4-11(10)22-14/h5-8H,1-4H2
InChIK	ZVFUTTWUTZPNCL-UHFFFAOYSA-N
TotalMolweight	378.249
Molweight	378.249
MonoisotopicMass	376.983358
CLogP	3.6963
CLogS	-5.33
H Acceptors	5
TotalSurfaceArea	242.89
Relative PSA	0.30499
PolarSurfaceArea	86.41
Druglikeness	0.063929
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
StereoCon

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1 - 3-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-(5-bromofuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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