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N-(2H-1,3-benzodioxol-5-yl)-2-[(5E)-5-[(2,5-dimethyl-1H-indol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(2H-1,3-benzodioxol-5-yl)-2-[(5E)-5-[(2,5-dimethyl-1H-indol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Formula: C23H19N3O5S

SMILES: CC1=C(C=C2SC(=O)N(CC(=O)NC3=CC=C4OCOC4=C3)C2=O)C2=CC(C)=CC=C2N1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-2-[(5E)-5-[(2,5-dimethyl-1H-indol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

InChI: InChI=1S/C23H19N3O5S/c1-12-3-5-17-16(7-12)15(13(2)24-17)9-20-22(28)26(23(29)32-20)10-21(27)25-14-4-6-18-19(8-14)31-11-30-18/h3-9,24H,10-11H2,1-2H3,(H,25,27)/b20-9+

Composition: C (61.46%), H (4.26%), N (9.35%), O (17.80%), S (7.13%)

Molar Mass: 449.48

Atom Count: 51

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 449.104541898
Formal Charge 0
FSP3 0.17
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HPTSESATDRKGKY-AWQFTUOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.52
Topological Polar Surface Area 100.73
Polarizability 46.79
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H19N3O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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