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

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

CAS: 328540-70-1

Formula: C17H20N2O2S

SMILES: COC1=C(NC(=O)C2=C(N)SC3=C2CCCCC3)C=CC=C1

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

InChI: InChI=1S/C17H20N2O2S/c1-21-13-9-6-5-8-12(13)19-17(20)15-11-7-3-2-4-10-14(11)22-16(15)18/h5-6,8-9H,2-4,7,10,18H2,1H3,(H,19,20)

Composition: C (64.53%), H (6.37%), N (8.85%), O (10.11%), S (10.13%)

Molar Mass: 316.42

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	316.124549066
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MIPUPSJJIYTWGH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.04
Topological Polar Surface Area	64.35
Polarizability	33.58
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	328540-70-1		$120.85$120.85