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ethyl 2-[(5E)-5-[(5-bromo-1H-indol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

ethyl 2-[(5E)-5-[(5-bromo-1H-indol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Formula: C17H15BrN2O4S

SMILES: CCOC(=O)C(C)N1C(=O)SC(=CC2=CNC3=CC=C(Br)C=C23)C1=O

IUPAC: ethyl 2-[(5E)-5-[(5-bromo-1H-indol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

InChI: InChI=1/C17H15BrN2O4S/c1-3-24-16(22)9(2)20-15(21)14(25-17(20)23)6-10-8-19-13-5-4-11(18)7-12(10)13/h4-9,19H,3H2,1-2H3/b14-6+

Composition: C (48.24%), H (3.57%), Br (18.88%), N (6.62%), O (15.12%), S (7.57%)

Molar Mass: 423.28

Atom Count: 40

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 421.993591
Formal Charge 0
FSP3 0.24
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UCKJOQXGMAQYDQ-MKMNVTDBNA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.92
Topological Polar Surface Area 79.47
Polarizability 39.09
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15BrN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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