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methyl 2-(pyrazine-2-amido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

methyl 2-(pyrazine-2-amido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

Formula: C16H17N3O3S

SMILES: COC(=O)C1=C(NC(=O)C2=CN=CC=N2)SC2=C1CCCCC2

IUPAC: methyl 2-(pyrazine-2-amido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

InChI: InChI=1S/C16H17N3O3S/c1-22-16(21)13-10-5-3-2-4-6-12(10)23-15(13)19-14(20)11-9-17-7-8-18-11/h7-9H,2-6H2,1H3,(H,19,20)

Composition: C (57.99%), H (5.17%), N (12.68%), O (14.48%), S (9.67%)

Molar Mass: 331.39

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 331.099062593
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GIGQMJQDQGIONU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.22
Topological Polar Surface Area 81.18
Polarizability 32.64
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H17N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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