(5Z)-1-(3-bromophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C21H12N2O4BrF Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-1-(3-bromophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(3-bromophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H12N2O4BrF
Smiles	O=C(/C(/C(N1c2cccc(Br)c2)=O)=C/c2ccc(-c(cc3)ccc3F)o2)NC1=O
InChI	InChI=1S/C21H12BrFN2O4/c22-13-2-1-3-15(10-13)25-20(27)17(19(26)24-21(25)28)11-16-8-9-18(29-16)12-4-6-14(23)7-5-12/h1-11H,(H,24,26,28)
InChIK	QPBIJCIODGKORW-UHFFFAOYSA-N
TotalMolweight	455.238
Molweight	455.238
MonoisotopicMass	453.996447
CLogP	3.9203
CLogS	-6.495
H Acceptors	6
H Donors	1
TotalSurfaceArea	293.67
Relative PSA	0.23237
PolarSurfaceArea	79.62
Druglikeness	2.4236
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - (5Z)-1-(3-bromophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(3-bromophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Request More Details | (5Z)-1-(3-bromophenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments