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

Formula: C21H24BrClN2O2S

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

IUPAC: 5-(5-bromo-3-chloro-2-hydroxyphenyl)-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/C21H24BrClN2O2S/c1-4-21(2,3)10-5-6-12-15(7-10)28-20-16(12)19(27)24-18(25-20)13-8-11(22)9-14(23)17(13)26/h8-10,18,25-26H,4-7H2,1-3H3,(H,24,27)

Composition: C (52.13%), H (5.00%), Br (16.51%), Cl (7.33%), N (5.79%), O (6.61%), S (6.63%)

Molar Mass: 483.85

Atom Count: 52

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	482.04304
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	FYBLDXNUJIOTPI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	118.48
Topological Polar Surface Area	61.36
Polarizability	44.7
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24BrClN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00