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

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

Formula: C18H19Br2N3O2S

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

IUPAC: 5-(3,5-dibromo-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/C18H19Br2N3O2S/c1-3-23-5-4-10-13(8-23)26-18-14(10)17(24)21-16(22-18)11-6-9(19)7-12(20)15(11)25-2/h6-7,16,22H,3-5,8H2,1-2H3,(H,21,24)

Composition: C (43.13%), H (3.82%), Br (31.88%), N (8.38%), O (6.38%), S (6.40%)

Molar Mass: 501.24

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	498.956474
Formal Charge	0
FSP3	0.39
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DPANJZYYVHDYNS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	111.97
Topological Polar Surface Area	53.6
Polarizability	41.9
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H19Br2N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00