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

Formula:C20H21N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[(4-chlorophenyl)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-chlorophenyl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H21N4OClS
Smiles	N=C(/C1=C/c(cc2)ccc2Cl)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C20H21ClN4OS/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	IOMORKXSGAVMCQ-UHFFFAOYSA-N
TotalMolweight	400.933
Molweight	400.933
MonoisotopicMass	400.112458
CLogP	3.4191
CLogS	-4.438
H Acceptors	5
H Donors	1
TotalSurfaceArea	293.5
Relative PSA	0.2477
PolarSurfaceArea	94.18
Druglikeness	0.36045
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

Click to Load Molecule:

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

Request More Details | (6Z)-6-[(4-chlorophenyl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments