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(5Z)-1-(4-bromophenyl)-5-({3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

(5Z)-1-(4-bromophenyl)-5-({3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

Formula: C28H25BrN2O6

SMILES: CCOC1=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC=C(Br)C=C2)=CC=C1OCCOC1=CC=C(C)C=C1

IUPAC: (5Z)-1-(4-bromophenyl)-5-({3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C28H25BrN2O6/c1-3-35-25-17-19(6-13-24(25)37-15-14-36-22-11-4-18(2)5-12-22)16-23-26(32)30-28(34)31(27(23)33)21-9-7-20(29)8-10-21/h4-13,16-17H,3,14-15H2,1-2H3,(H,30,32,34)/b23-16-

Composition: C (59.48%), H (4.46%), Br (14.13%), N (4.95%), O (16.98%)

Molar Mass: 565.42

Atom Count: 62

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 564.0896
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey BBORBKJQBUWEQW-KQWNVCNZSA-N
Lipinski's Rule of Five
Molar Refractivity 141.69
Topological Polar Surface Area 94.17
Polarizability 54.17
Ring Count 4
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H25BrN2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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