(5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C28H25N2O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C28H25N2O3F3
Smiles	O=C(/C(/C(N1c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=C\c2ccc(C(F)(F)F)cc2)NC1=O
InChI	InChI=1S/C28H25F3N2O3/c29-28(30,31)21-3-1-16(2-4-21)12-23-24(34)32-26(36)33(25(23)35)22-7-5-20(6-8-22)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-8,12,17-19H,9-11,13-15H2,(H,32,34,36)
InChIK	PABFNVIIBHBIPH-UHFFFAOYSA-N
TotalMolweight	494.512
Molweight	494.512
MonoisotopicMass	494.181727
CLogP	5.134
CLogS	-7.373
H Acceptors	5
H Donors	1
TotalSurfaceArea	338.67
Relative PSA	0.15983
PolarSurfaceArea	66.48
Druglikeness	-2.3766
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	12
Amides	2
StereoCon

Click to Load Molecule:

1 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Request More Details | (5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments