5-(5-bromo-2-ethoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(5-bromo-2-ethoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C23H29BrN2O2S

SMILES: CCOC1=CC=C(Br)C=C1C1NC2=C(C3=C(CC(CC3)C(C)(C)CC)S2)C(=O)N1

IUPAC: 5-(5-bromo-2-ethoxyphenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C23H29BrN2O2S/c1-5-23(3,4)13-7-9-15-18(11-13)29-22-19(15)21(27)25-20(26-22)16-12-14(24)8-10-17(16)28-6-2/h8,10,12-13,20,26H,5-7,9,11H2,1-4H3,(H,25,27)

Composition: C (57.86%), H (6.12%), Br (16.74%), N (5.87%), O (6.70%), S (6.71%)

Molar Mass: 477.46

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	476.113312
Formal Charge	0
FSP3	0.52
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DFRGIFOHBULMOO-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	122.9
Topological Polar Surface Area	50.36
Polarizability	46.46
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H29BrN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00