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(2Z,5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one

(2Z,5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one

Formula: C24H23BrN2O4S

SMILES: CCOC1=CC(C=C2SC(=N/C3=CC=CC=C3)N(CCOC)C2=O)=CC(Br)=C1OCC#C

IUPAC: (2Z,5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one

InChI: InChI=1S/C24H23BrN2O4S/c1-4-12-31-22-19(25)14-17(15-20(22)30-5-2)16-21-23(28)27(11-13-29-3)24(32-21)26-18-9-7-6-8-10-18/h1,6-10,14-16H,5,11-13H2,2-3H3/b21-16+,26-24-

Composition: C (55.93%), H (4.50%), Br (15.50%), N (5.44%), O (12.42%), S (6.22%)

Molar Mass: 515.42

Atom Count: 55

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 514.056191
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey HJMMTZPJKMTGKB-AQECZICASA-N
Lipinski's Rule of Five
Molar Refractivity 133.78
Topological Polar Surface Area 60.36
Polarizability 49.77
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H23BrN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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