2-[2-(azepan-1-yl)acetamido]-N-(4-ethoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

2-[2-(azepan-1-yl)acetamido]-N-(4-ethoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C26H35N3O3S

SMILES: CCOC1=CC=C(NC(=O)C2=C(NC(=O)CN3CCCCCC3)SC3=C2CCCCC3)C=C1

IUPAC: 2-[2-(azepan-1-yl)acetamido]-N-(4-ethoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C26H35N3O3S/c1-2-32-20-14-12-19(13-15-20)27-25(31)24-21-10-6-5-7-11-22(21)33-26(24)28-23(30)18-29-16-8-3-4-9-17-29/h12-15H,2-11,16-18H2,1H3,(H,27,31)(H,28,30)

Composition: C (66.49%), H (7.51%), N (8.95%), O (10.22%), S (6.83%)

Molar Mass: 469.64

Atom Count: 68

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	469.239913173
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GBZFHOKDBCJQJZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.13
Topological Polar Surface Area	70.67
Polarizability	51.02
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H35N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00