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

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

Formula: C19H21BrN2O3S

SMILES: COC1=CC(=CC(Br)=C1OC)C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

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

InChI: InChI=1/C19H21BrN2O3S/c1-9-4-5-11-14(6-9)26-19-15(11)18(23)21-17(22-19)10-7-12(20)16(25-3)13(8-10)24-2/h7-9,17,22H,4-6H2,1-3H3,(H,21,23)

Composition: C (52.18%), H (4.84%), Br (18.27%), N (6.41%), O (10.97%), S (7.33%)

Molar Mass: 437.35

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	436.045627
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QPICGJYSQHRQCU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	106.39
Topological Polar Surface Area	59.59
Polarizability	39.9
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00