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

Formula:C21H14N4O3ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[3-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[[3-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C21H14N4O3ClF3S
Smiles	N=C(/C1=C/c2cccc(OCCOc(cccc3)c3Cl)c2)N2N=C(C(F)(F)F)SC2=NC1=O
InChI	InChI=1S/C21H14ClF3N4O3S/c22-15-6-1-2-7-16(15)32-9-8-31-13-5-3-4-12(10-13)11-14-17(26)29-20(27-18(14)30)33-19(28-29)21(23,24)25/h1-7,10-11,26H,8-9H2
InChIK	LSLBFHJSLHGQCA-UHFFFAOYSA-N
TotalMolweight	494.88
Molweight	494.88
MonoisotopicMass	494.042722
CLogP	3.0055
CLogS	-4.58
H Acceptors	7
H Donors	1
TotalSurfaceArea	334.92
Relative PSA	0.27678
PolarSurfaceArea	112.64
Druglikeness	-13.65
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments