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

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

Formula: C26H26N2O3S

SMILES: CCOC1=CC(=CC=C1OCC1=CC=C(C)C=C1)C1=NC(=O)C2=C(N1)SC1=C2CCCC1

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

InChI: InChI=1S/C26H26N2O3S/c1-3-30-21-14-18(12-13-20(21)31-15-17-10-8-16(2)9-11-17)24-27-25(29)23-19-6-4-5-7-22(19)32-26(23)28-24/h8-14H,3-7,15H2,1-2H3,(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	JSHJAFOKZPZLGM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.64
Topological Polar Surface Area	59.92
Polarizability	48.15
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