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(5Z)-3-(2-oxo-2-phenylethyl)-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-oxo-2-phenylethyl)-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

Formula: C22H20N2O3S

SMILES: O=C(CN1C(=O)SC(=C/C2=CC=C(C=C2)N2CCCC2)C1=O)C1=CC=CC=C1

IUPAC: (5Z)-3-(2-oxo-2-phenylethyl)-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

InChI: InChI=1S/C22H20N2O3S/c25-19(17-6-2-1-3-7-17)15-24-21(26)20(28-22(24)27)14-16-8-10-18(11-9-16)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13,15H2/b20-14-

Composition: C (67.33%), H (5.14%), N (7.14%), O (12.23%), S (8.17%)

Molar Mass: 392.47

Atom Count: 48

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 392.119463686
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YJZHOJJYIUEDNF-ZHZULCJRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.99
Topological Polar Surface Area 57.69
Polarizability 42.22
Ring Count 4
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H20N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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