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

Formula:C20H21N4OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[(4-bromophenyl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[(4-bromophenyl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H21N4OBrS
Smiles	N=C(/C1=C/c(cc2)ccc2Br)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C20H21BrN4OS/c21-15-9-6-14(7-10-15)12-16-18(22)25-20(23-19(16)26)27-17(24-25)11-8-13-4-2-1-3-5-13/h6-7,9-10,12-13,22H,1-5,8,11H2
InChIK	XHTPASXKFLXSNL-UHFFFAOYSA-N
TotalMolweight	445.384
Molweight	445.384
MonoisotopicMass	444.061942
CLogP	3.5383
CLogS	-4.536
H Acceptors	5
H Donors	1
TotalSurfaceArea	296.71
Relative PSA	0.24502
PolarSurfaceArea	94.18
Druglikeness	-1.4713
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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