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

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

Formula: C18H19BrN2OS

SMILES: CCC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC(Br)=C1

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

InChI: InChI=1/C18H19BrN2OS/c1-2-10-6-7-13-14(8-10)23-18-15(13)17(22)20-16(21-18)11-4-3-5-12(19)9-11/h3-5,9-10,16,21H,2,6-8H2,1H3,(H,20,22)

Composition: C (55.25%), H (4.89%), Br (20.42%), N (7.16%), O (4.09%), S (8.19%)

Molar Mass: 391.33

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	390.040147
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	IDOPFEKGSPWCDZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	98.07
Topological Polar Surface Area	41.13
Polarizability	36.6
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H19BrN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00