5-{2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

5-{2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

Formula: C26H26N2O3S

SMILES: CC1=CC=C(OCCOC2=CC=CC=C2C2=NC(=O)C3=C(N2)SC2=C3CCCC2)C=C1C

IUPAC: 5-{2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

InChI: InChI=1S/C26H26N2O3S/c1-16-11-12-18(15-17(16)2)30-13-14-31-21-9-5-3-7-19(21)24-27-25(29)23-20-8-4-6-10-22(20)32-26(23)28-24/h3,5,7,9,11-12,15H,4,6,8,10,13-14H2,1-2H3,(H,27,28,29)

Composition: C (69.93%), H (5.87%), N (6.27%), O (10.75%), S (7.18%)

Molar Mass: 446.57

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	446.166413879
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZEACVRNFXYYBQW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.41
Topological Polar Surface Area	59.92
Polarizability	48.08
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H26N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00