N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Formula: C27H23N3O2S

SMILES: CCOC1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=C1)C(=O)NC1=C(C#N)C2=C(CCCC2)S1

IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

InChI: InChI=1S/C27H23N3O2S/c1-2-32-18-13-11-17(12-14-18)24-15-21(19-7-3-5-9-23(19)29-24)26(31)30-27-22(16-28)20-8-4-6-10-25(20)33-27/h3,5,7,9,11-15H,2,4,6,8,10H2,1H3,(H,30,31)

Composition: C (71.50%), H (5.11%), N (9.26%), O (7.05%), S (7.07%)

Molar Mass: 453.56

Atom Count: 56

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	453.151098167
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZREWRSYRLJEUAO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.9
Topological Polar Surface Area	75.01
Polarizability	51.86
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H23N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00