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

Formula:C17H14N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(4-bromophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(4-bromophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C17H14N3OBrS
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c(cc1)ccc1Br
InChI	InChI=1S/C17H14BrN3OS/c18-12-7-5-11(6-8-12)9-20-21-10-19-16-15(17(21)22)13-3-1-2-4-14(13)23-16/h5-10H,1-4H2
InChIK	KWROBLCQHGBNQW-UHFFFAOYSA-N
TotalMolweight	388.288
Molweight	388.288
MonoisotopicMass	387.004093
CLogP	4.4102
CLogS	-5.885
H Acceptors	4
TotalSurfaceArea	253.2
Relative PSA	0.23685
PolarSurfaceArea	73.27
Druglikeness	-0.46167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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

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