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

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

Formula: C21H24Br2N2O3S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(Br)=C(O)C(Br)=C1O

IUPAC: 5-(3,5-dibromo-2,4-dihydroxyphenyl)-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/C21H24Br2N2O3S/c1-4-21(2,3)9-5-6-10-13(7-9)29-20-14(10)19(28)24-18(25-20)11-8-12(22)17(27)15(23)16(11)26/h8-9,18,25-27H,4-7H2,1-3H3,(H,24,28)

Composition: C (46.34%), H (4.44%), Br (29.36%), N (5.15%), O (8.82%), S (5.89%)

Molar Mass: 544.3

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	541.98744
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	KSGJPHCSDGFVTG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	123.28
Topological Polar Surface Area	81.59
Polarizability	46.37
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24Br2N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00