(2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}prop-2-enamide

(2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}prop-2-enamide

Formula: C27H23N3O4S

SMILES: COC1=CC(C=C(/C#N)C(=O)NC2=NC3=CC=CC=C3S2)=CC=C1OCCOC1=CC=C(C)C=C1

IUPAC: (2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}prop-2-enamide

InChI: InChI=1S/C27H23N3O4S/c1-18-7-10-21(11-8-18)33-13-14-34-23-12-9-19(16-24(23)32-2)15-20(17-28)26(31)30-27-29-22-5-3-4-6-25(22)35-27/h3-12,15-16H,13-14H2,1-2H3,(H,29,30,31)/b20-15+

Composition: C (66.79%), H (4.77%), N (8.65%), O (13.18%), S (6.60%)

Molar Mass: 485.56

Atom Count: 58

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	485.140927407
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	VLWLDGQQZBPZIX-HMMYKYKNSA-N
Lipinski's Rule of Five
Molar Refractivity	135.45
Topological Polar Surface Area	93.47
Polarizability	52.3
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H23N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00