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

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

Formula: C17H17BrClN3O2S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(Cl)=CC(Br)=C1O

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

InChI: InChI=1/C17H17BrClN3O2S/c1-2-22-4-3-9-12(7-22)25-17-13(9)16(24)20-15(21-17)10-5-8(19)6-11(18)14(10)23/h5-6,15,21,23H,2-4,7H2,1H3,(H,20,24)

Composition: C (46.12%), H (3.87%), Br (18.05%), Cl (8.01%), N (9.49%), O (7.23%), S (7.24%)

Molar Mass: 442.76

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	440.991339
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	FKPJKFGXSOMWEY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.67
Topological Polar Surface Area	64.6
Polarizability	39
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17BrClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00