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

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

Formula: C25H33N3O3S

SMILES: COC1=CC=CC=C1NC(=O)C1=C(NC(=O)CN2CCCCCC2)SC2=C1CCCCC2

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

InChI: InChI=1S/C25H33N3O3S/c1-31-20-13-8-7-12-19(20)26-24(30)23-18-11-5-4-6-14-21(18)32-25(23)27-22(29)17-28-15-9-2-3-10-16-28/h7-8,12-13H,2-6,9-11,14-17H2,1H3,(H,26,30)(H,27,29)

Composition: C (65.91%), H (7.30%), N (9.22%), O (10.53%), S (7.04%)

Molar Mass: 455.62

Atom Count: 65

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	455.224263109
Formal Charge	0
FSP3	0.52
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VHFFNGHTJXYXIL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	131.38
Topological Polar Surface Area	70.67
Polarizability	49.18
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H33N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00