(6Z)-2-benzyl-6-[(3-bromophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C19H13N4OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-2-benzyl-6-[(3-bromophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-benzyl-6-[(3-bromophenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C19H13N4OBrS
Smiles	N=C(/C1=C/c2cccc(Br)c2)N2N=C(Cc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C19H13BrN4OS/c20-14-8-4-7-13(9-14)10-15-17(21)24-19(22-18(15)25)26-16(23-24)11-12-5-2-1-3-6-12/h1-10,21H,11H2
InChIK	QFJKHYCBUNLNDY-UHFFFAOYSA-N
TotalMolweight	425.309
Molweight	425.309
MonoisotopicMass	423.999342
CLogP	2.7273
CLogS	-3.805
H Acceptors	5
H Donors	1
TotalSurfaceArea	274.91
Relative PSA	0.26445
PolarSurfaceArea	94.18
Druglikeness	3.4468
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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