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(5Z)-5-({3-bromo-4-[3-(4-chlorophenoxy)propoxy]-5-methoxyphenyl}methylidene)-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione

(5Z)-5-({3-bromo-4-[3-(4-chlorophenoxy)propoxy]-5-methoxyphenyl}methylidene)-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione

Formula: C27H21Br2ClN2O6

SMILES: COC1=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC=C(Br)C=C2)=CC(Br)=C1OCCCOC1=CC=C(Cl)C=C1

IUPAC: (5Z)-5-({3-bromo-4-[3-(4-chlorophenoxy)propoxy]-5-methoxyphenyl}methylidene)-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C27H21Br2ClN2O6/c1-36-23-15-16(14-22(29)24(23)38-12-2-11-37-20-9-5-18(30)6-10-20)13-21-25(33)31-27(35)32(26(21)34)19-7-3-17(28)4-8-19/h3-10,13-15H,2,11-12H2,1H3,(H,31,33,35)/b21-13-

Composition: C (48.79%), H (3.18%), Br (24.04%), Cl (5.33%), N (4.21%), O (14.44%)

Molar Mass: 664.73

Atom Count: 59

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 661.94549
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey DRYGJGDYEBYFMO-BKUYFWCQSA-N
Lipinski's Rule of Five
Molar Refractivity 149.19
Topological Polar Surface Area 94.17
Polarizability 57.28
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 C27H21Br2ClN2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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