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2-amino-N-(3-methoxyphenyl)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

2-amino-N-(3-methoxyphenyl)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

CAS: 725687-83-2

Formula: C18H22N2O2S

SMILES: COC1=CC=CC(NC(=O)C2=C(N)SC3=C2CCCCCC3)=C1

IUPAC: 2-amino-N-(3-methoxyphenyl)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

InChI: InChI=1S/C18H22N2O2S/c1-22-13-8-6-7-12(11-13)20-18(21)16-14-9-4-2-3-5-10-15(14)23-17(16)19/h6-8,11H,2-5,9-10,19H2,1H3,(H,20,21)

Composition: C (65.43%), H (6.71%), N (8.48%), O (9.68%), S (9.70%)

Molar Mass: 330.45

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 330.14019913
Formal Charge 0
FSP3 0.39
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NHJCPOBRZVCUMZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.64
Topological Polar Surface Area 64.35
Polarizability 35.41
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 725687-83-2 $134.76$134.76
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