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

Formula:C18H17N4OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[(3-bromophenyl)methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[(3-bromophenyl)methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C18H17N4OBrS
Smiles	N=C(/C1=C/c2cccc(Br)c2)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C18H17BrN4OS/c19-13-8-4-5-11(9-13)10-14-15(20)23-18(21-16(14)24)25-17(22-23)12-6-2-1-3-7-12/h4-5,8-10,12,20H,1-3,6-7H2
InChIK	KNQHBJJEFLAKSZ-UHFFFAOYSA-N
TotalMolweight	417.33
Molweight	417.33
MonoisotopicMass	416.030642
CLogP	2.6295
CLogS	-3.996
H Acceptors	5
H Donors	1
TotalSurfaceArea	269.19
Relative PSA	0.27007
PolarSurfaceArea	94.18
Druglikeness	-1.671
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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