3-bromo-N-{5-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-4-yl}propanamide

3-bromo-N-{5-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-4-yl}propanamide

Formula: C14H16BrN3O2S

SMILES: CC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1NC(=O)CCBr

IUPAC: 3-bromo-N-{5-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-4-yl}propanamide

InChI: InChI=1S/C14H16BrN3O2S/c1-8-16-13-12(9-4-2-3-5-10(9)21-13)14(20)18(8)17-11(19)6-7-15/h2-7H2,1H3,(H,17,19)

Composition: C (45.41%), H (4.36%), Br (21.58%), N (11.35%), O (8.64%), S (8.66%)

Molar Mass: 370.27

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	369.014661
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YWKDWLIAMPHCEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.38
Topological Polar Surface Area	61.77
Polarizability	31.62
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H16BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00