5-(3-bromophenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(3-bromophenyl)-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C21H25BrN2OS

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC(Br)=C1

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

InChI: InChI=1/C21H25BrN2OS/c1-4-21(2,3)13-8-9-15-16(11-13)26-20-17(15)19(25)23-18(24-20)12-6-5-7-14(22)10-12/h5-7,10,13,18,24H,4,8-9,11H2,1-3H3,(H,23,25)

Composition: C (58.20%), H (5.81%), Br (18.44%), N (6.46%), O (3.69%), S (7.40%)

Molar Mass: 433.41

Atom Count: 51

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	432.087098
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	WAAAETNXNVUEOZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	111.69
Topological Polar Surface Area	41.13
Polarizability	42.08
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25BrN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00