2-{2-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methyl]diazen-1-yl}-1,3-benzothiazole

2-{2-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methyl]diazen-1-yl}-1,3-benzothiazole

Formula: C27H27N3O4S

SMILES: COC1=CC(CN=NC2=NC3=CC=CC=C3S2)=CC(OC)=C1OCCOC1=CC=CC=C1CC=C

IUPAC: 2-{2-[(3,5-dimethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methyl]diazen-1-yl}-1,3-benzothiazole

InChI: InChI=1S/C27H27N3O4S/c1-4-9-20-10-5-7-12-22(20)33-14-15-34-26-23(31-2)16-19(17-24(26)32-3)18-28-30-27-29-21-11-6-8-13-25(21)35-27/h4-8,10-13,16-17H,1,9,14-15,18H2,2-3H3

Composition: C (66.24%), H (5.56%), N (8.58%), O (13.07%), S (6.55%)

Molar Mass: 489.59

Atom Count: 62

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	489.172227535
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	PCKGCRYXUSQDRR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	137.97
Topological Polar Surface Area	74.53
Polarizability	53.7
Ring Count	4
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00