5-{3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

5-{3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

Formula: C30H33BrN2O4S

SMILES: COC1=CC(=CC(Br)=C1OCCOC1=CC=C(C=C1)C(C)(C)C)C1=NC(=O)C2=C(N1)SC1=C2CCC(C)C1

IUPAC: 5-{3-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]-5-methoxyphenyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

InChI: InChI=1/C30H33BrN2O4S/c1-17-6-11-21-24(14-17)38-29-25(21)28(34)32-27(33-29)18-15-22(31)26(23(16-18)35-5)37-13-12-36-20-9-7-19(8-10-20)30(2,3)4/h7-10,15-17H,6,11-14H2,1-5H3,(H,32,33,34)

Composition: C (60.30%), H (5.57%), Br (13.37%), N (4.69%), O (10.71%), S (5.37%)

Molar Mass: 597.57

Atom Count: 71

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	596.134442
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ITCPICCSXUUPSF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	155.63
Topological Polar Surface Area	69.15
Polarizability	58.95
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H33BrN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00