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

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

Formula: C25H25FN2O3S

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

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

InChI: InChI=1S/C25H25FN2O3S/c1-30-18-11-12-20(21(14-18)31-2)28-24(29)23-19-9-4-3-5-10-22(19)32-25(23)27-15-16-7-6-8-17(26)13-16/h6-8,11-15H,3-5,9-10H2,1-2H3,(H,28,29)/b27-15+

Composition: C (66.35%), H (5.57%), F (4.20%), N (6.19%), O (10.61%), S (7.08%)

Molar Mass: 452.54

Atom Count: 57

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	452.15699201
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JRDRVCTVTICPDX-JFLMPSFJSA-N
Lipinski's Rule of Five
Molar Refractivity	128.35
Topological Polar Surface Area	59.92
Polarizability	46.78
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25FN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00