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

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

Formula: C30H29ClN2O6

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

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

InChI: InChI=1S/C30H29ClN2O6/c1-4-20-14-19(3)15-24(16-20)38-12-13-39-26-11-6-21(18-27(26)37-5-2)17-25-28(34)32-30(36)33(29(25)35)23-9-7-22(31)8-10-23/h6-11,14-18H,4-5,12-13H2,1-3H3,(H,32,34,36)/b25-17-

Composition: C (65.63%), H (5.32%), Cl (6.46%), N (5.10%), O (17.48%)

Molar Mass: 549.02

Atom Count: 68

Heavy Atom Count: 39

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 548.1714144
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey IYFSFYMTFQZKMH-UQQQWYQISA-N
Lipinski's Rule of Five
Molar Refractivity 148.51
Topological Polar Surface Area 94.17
Polarizability 56.88
Ring Count 4
Rotatable Bond Count 10

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C30H29ClN2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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