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

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

Formula: C19H22BrN3O2S

SMILES: CCOC1=CC=C(Br)C=C1C1NC2=C(C3=C(CN(CC)CC3)S2)C(=O)N1

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

InChI: InChI=1/C19H22BrN3O2S/c1-3-23-8-7-12-15(10-23)26-19-16(12)18(24)21-17(22-19)13-9-11(20)5-6-14(13)25-4-2/h5-6,9,17,22H,3-4,7-8,10H2,1-2H3,(H,21,24)

Composition: C (52.30%), H (5.08%), Br (18.31%), N (9.63%), O (7.33%), S (7.35%)

Molar Mass: 436.37

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	435.061611
Formal Charge	0
FSP3	0.42
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RVHYRTPRLSJIPL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.09
Topological Polar Surface Area	53.6
Polarizability	40.76
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H22BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00