(2E)-N-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyanoprop-2-enamide

(2E)-N-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyanoprop-2-enamide

Formula: C27H22ClN3O4S

SMILES: COC1=CC(C=C(/C#N)C(=O)NC2=NC3=CC=CC=C3S2)=CC(Cl)=C1OCCCOC1=CC=CC=C1

IUPAC: (2E)-N-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyanoprop-2-enamide

InChI: InChI=1S/C27H22ClN3O4S/c1-33-23-16-18(15-21(28)25(23)35-13-7-12-34-20-8-3-2-4-9-20)14-19(17-29)26(32)31-27-30-22-10-5-6-11-24(22)36-27/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,30,31,32)/b19-14+

Composition: C (62.36%), H (4.26%), Cl (6.82%), N (8.08%), O (12.31%), S (6.17%)

Molar Mass: 520

Atom Count: 58

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	519.1019551
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	QWXANYQENZEUFX-XMHGGMMESA-N
Lipinski's Rule of Five
Molar Refractivity	140.08
Topological Polar Surface Area	93.47
Polarizability	54.27
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22ClN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00