(5Z)-2-(phenoxymethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C23H14N3O3F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-2-(phenoxymethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-2-(phenoxymethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C23H14N3O3F3S
Smiles	O=C1n2nc(COc3ccccc3)nc2S/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C23H14F3N3O3S/c24-23(25,26)15-6-4-5-14(11-15)18-10-9-17(32-18)12-19-21(30)29-22(33-19)27-20(28-29)13-31-16-7-2-1-3-8-16/h1-12H,13H2
InChIK	ZVQOSHRBAKZKBP-UHFFFAOYSA-N
TotalMolweight	469.442
Molweight	469.442
MonoisotopicMass	469.070796
CLogP	4.7372
CLogS	-6.268
H Acceptors	6
TotalSurfaceArea	328.62
Relative PSA	0.25394
PolarSurfaceArea	95.45
Druglikeness	-2.1193
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - (5Z)-2-(phenoxymethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-(phenoxymethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Request More Details | (5Z)-2-(phenoxymethyl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments