2-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-N-(4-methoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

2-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-N-(4-methoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C26H28N2O4S

SMILES: COC1=CC=C(NC(=O)C2=C(SC3=C2CCCCC3)N=CC2=CC=C(OC)C(OC)=C2)C=C1

IUPAC: 2-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-N-(4-methoxyphenyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C26H28N2O4S/c1-30-19-12-10-18(11-13-19)28-25(29)24-20-7-5-4-6-8-23(20)33-26(24)27-16-17-9-14-21(31-2)22(15-17)32-3/h9-16H,4-8H2,1-3H3,(H,28,29)/b27-16+

Composition: C (67.22%), H (6.08%), N (6.03%), O (13.78%), S (6.90%)

Molar Mass: 464.58

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	464.176978564
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KISKYJCFJVOKCP-JVWAILMASA-N
Lipinski's Rule of Five
Molar Refractivity	134.6
Topological Polar Surface Area	69.15
Polarizability	49.62
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H28N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00