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

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

Formula: C28H24BrClN2O6

SMILES: CCOC1=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC=C(Cl)C=C2)=CC(Br)=C1OCCOC1=CC=CC=C1C

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

InChI: InChI=1S/C28H24BrClN2O6/c1-3-36-24-16-18(15-22(29)25(24)38-13-12-37-23-7-5-4-6-17(23)2)14-21-26(33)31-28(35)32(27(21)34)20-10-8-19(30)9-11-20/h4-11,14-16H,3,12-13H2,1-2H3,(H,31,33,35)/b21-14-

Composition: C (56.06%), H (4.03%), Br (13.32%), Cl (5.91%), N (4.67%), O (16.00%)

Molar Mass: 599.86

Atom Count: 62

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 598.050627
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey UZKRCCNYWRSIEE-STZFKDTASA-N
Lipinski's Rule of Five
Molar Refractivity 146.49
Topological Polar Surface Area 94.17
Polarizability 56.11
Ring Count 4
Rotatable Bond Count 9

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H24BrClN2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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