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(5E)-5-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

(5E)-5-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

Formula: C25H18BrClN2O5

SMILES: ClC1=CC=C(C=C1)N1C(=O)NC(=O)C(=C/C2=CC=CC(OCCOC3=CC=C(Br)C=C3)=C2)C1=O

IUPAC: (5E)-5-({3-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C25H18BrClN2O5/c26-17-4-10-20(11-5-17)33-12-13-34-21-3-1-2-16(14-21)15-22-23(30)28-25(32)29(24(22)31)19-8-6-18(27)7-9-19/h1-11,14-15H,12-13H2,(H,28,30,32)/b22-15+

Composition: C (55.42%), H (3.35%), Br (14.75%), Cl (6.54%), N (5.17%), O (14.77%)

Molar Mass: 541.78

Atom Count: 52

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 540.008762
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey KWRUBQKUOQDGLL-PXLXIMEGSA-N
Lipinski's Rule of Five
Molar Refractivity 130.24
Topological Polar Surface Area 84.94
Polarizability 49.97
Ring Count 4
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H18BrClN2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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