5-(5-bromo-2-methoxyphenyl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(5-bromo-2-methoxyphenyl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C18H20BrN3O2S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(Br)=CC=C1OC

IUPAC: 5-(5-bromo-2-methoxyphenyl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C18H20BrN3O2S/c1-3-22-7-6-11-14(9-22)25-18-15(11)17(23)20-16(21-18)12-8-10(19)4-5-13(12)24-2/h4-5,8,16,21H,3,6-7,9H2,1-2H3,(H,20,23)

Composition: C (51.19%), H (4.77%), Br (18.92%), N (9.95%), O (7.58%), S (7.59%)

Molar Mass: 422.34

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	421.045961
Formal Charge	0
FSP3	0.39
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BEACJNWQYUWGBV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.34
Topological Polar Surface Area	53.6
Polarizability	38.93
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00