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

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

Formula: C23H29BrN2O3S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(Br)=C(OC)C(OC)=C1

IUPAC: 5-(3-bromo-4,5-dimethoxyphenyl)-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/C23H29BrN2O3S/c1-6-23(2,3)13-7-8-14-17(11-13)30-22-18(14)21(27)25-20(26-22)12-9-15(24)19(29-5)16(10-12)28-4/h9-10,13,20,26H,6-8,11H2,1-5H3,(H,25,27)

Composition: C (55.98%), H (5.92%), Br (16.19%), N (5.68%), O (9.73%), S (6.50%)

Molar Mass: 493.46

Atom Count: 59

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	492.108227
Formal Charge	0
FSP3	0.52
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BRGLMJCYMWTHFX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	124.62
Topological Polar Surface Area	59.59
Polarizability	47.19
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H29BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00