2-[2-(azepan-1-yl)acetamido]-6-tert-butyl-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[2-(azepan-1-yl)acetamido]-6-tert-butyl-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C27H36N4O4S

SMILES: CC(C)(C)C1CCC2=C(C1)SC(NC(=O)CN1CCCCCC1)=C2C(=O)NC1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 2-[2-(azepan-1-yl)acetamido]-6-tert-butyl-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C27H36N4O4S/c1-27(2,3)18-11-12-21-22(15-18)36-26(29-23(32)17-30-13-6-4-5-7-14-30)24(21)25(33)28-19-9-8-10-20(16-19)31(34)35/h8-10,16,18H,4-7,11-15,17H2,1-3H3,(H,28,33)(H,29,32)

Composition: C (63.26%), H (7.08%), N (10.93%), O (12.48%), S (6.25%)

Molar Mass: 512.67

Atom Count: 72

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	512.245726829
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZLCGDTDDENPRLI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	144.81
Topological Polar Surface Area	104.58
Polarizability	54.06
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H36N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00