(3E,6E)-3,6-bis[[4-(trifluoromethoxy)phenyl]methylidene]piperazine-2,5-dione

Formula:C20H12N2O4F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E,6E)-3,6-bis[[4-(trifluoromethoxy)phenyl]methylidene]piperazine-2,5-dione is a drug-like molecule.

MolName	(3E,6E)-3,6-bis[[4-(trifluoromethoxy)phenyl]methylidene]piperazine-2,5-dione
MolecularFormula	C20H12N2O4F6
Smiles	O=C(/C(/NC1=O)=C\c(cc2)ccc2OC(F)(F)F)N/C1=C/c(cc1)ccc1OC(F)(F)F
InChI	InChI=1S/C20H12F6N2O4/c21-19(22,23)31-13-5-1-11(2-6-13)9-15-17(29)28-16(18(30)27-15)10-12-3-7-14(8-4-12)32-20(24,25)26/h1-10H,(H,27,30)(H,28,29)
InChIK	DVUHTGXQLZVQTE-UHFFFAOYSA-N
TotalMolweight	458.313
Molweight	458.313
MonoisotopicMass	458.070126
CLogP	4.4706
CLogS	-6.066
H Acceptors	6
H Donors	2
TotalSurfaceArea	306.28
Relative PSA	0.22528
PolarSurfaceArea	76.66
Druglikeness	-5.0605
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	20
Amides	2
StereoCon

Click to Load Molecule:

1 - (3E,6E)-3,6-bis[[4-(trifluoromethoxy)phenyl]methylidene]piperazine-2,5-dione | 2 - (3E,6E)-3,6-bis[[4-(trifluoromethoxy)phenyl]methylidene]piperazine-2,5-dione

Request More Details | (3E,6E)-3,6-bis[[4-(trifluoromethoxy)phenyl]methylidene]piperazine-2,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments