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(2E,5Z)-3-benzyl-2-(benzylimino)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

(2E,5Z)-3-benzyl-2-(benzylimino)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

Formula: C24H19N3O4S

SMILES: OC1=CC=C(C=C1C=C1/SC(=NCC2=CC=CC=C2)N(CC2=CC=CC=C2)C1=O)[N+]([O-])=O

IUPAC: (2E,5Z)-3-benzyl-2-(benzylimino)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

InChI: InChI=1S/C24H19N3O4S/c28-21-12-11-20(27(30)31)13-19(21)14-22-23(29)26(16-18-9-5-2-6-10-18)24(32-22)25-15-17-7-3-1-4-8-17/h1-14,28H,15-16H2/b22-14-,25-24+

Composition: C (64.71%), H (4.30%), N (9.43%), O (14.37%), S (7.20%)

Molar Mass: 445.49

Atom Count: 51

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 445.109627278
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SUYRXQZAULQIKW-FRODBLILSA-N
Lipinski's Rule of Five
Molar Refractivity 125.6
Topological Polar Surface Area 96.04
Polarizability 47.08
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H19N3O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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