2-{4-[(E)-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl]-2-methoxyphenoxy}-N-(2-methyl-5-nitrophenyl)acetamide

2-{4-[(E)-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl]-2-methoxyphenoxy}-N-(2-methyl-5-nitrophenyl)acetamide

Formula: C27H26N4O5S

SMILES: COC1=CC(C=NC2=C(C#N)C3=C(CC(C)CC3)S2)=CC=C1OCC(=O)NC1=CC(=CC=C1C)[N+]([O-])=O

IUPAC: 2-{4-[(E)-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl]-2-methoxyphenoxy}-N-(2-methyl-5-nitrophenyl)acetamide

InChI: InChI=1/C27H26N4O5S/c1-16-4-8-20-21(13-28)27(37-25(20)10-16)29-14-18-6-9-23(24(11-18)35-3)36-15-26(32)30-22-12-19(31(33)34)7-5-17(22)2/h5-7,9,11-12,14,16H,4,8,10,15H2,1-3H3,(H,30,32)/b29-14+

Composition: C (62.53%), H (5.05%), N (10.80%), O (15.43%), S (6.18%)

Molar Mass: 518.59

Atom Count: 63

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	518.162391127
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	WCDVEMRVZHFNBB-IPPBACCNNA-N
Lipinski's Rule of Five
Molar Refractivity	143.99
Topological Polar Surface Area	126.85
Polarizability	52.63
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H26N4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00