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

Formula:C26H20N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-5-imino-6-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-5-imino-6-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H20N4O3S
Smiles	N=C(/C1=C/c2cc(OCCOc3ccccc3)ccc2)N2N=C(c3ccccc3)SC2=NC1=O
InChI	InChI=1S/C26H20N4O3S/c27-23-22(24(31)28-26-30(23)29-25(34-26)19-9-3-1-4-10-19)17-18-8-7-13-21(16-18)33-15-14-32-20-11-5-2-6-12-20/h1-13,16-17,27H,14-15H2
InChIK	WTJIQGOMPJAOCC-UHFFFAOYSA-N
TotalMolweight	468.536
Molweight	468.536
MonoisotopicMass	468.125611
CLogP	4.2986
CLogS	-5.531
H Acceptors	7
H Donors	1
TotalSurfaceArea	349.8
Relative PSA	0.26501
PolarSurfaceArea	112.64
Druglikeness	-2.0089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments