5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C24H19BrN2O2S2

SMILES: BrC1=CC=C(C=C1)C(=O)CSC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1C1=CC=CC=C1

IUPAC: 5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C24H19BrN2O2S2/c25-16-12-10-15(11-13-16)19(28)14-30-24-26-22-21(18-8-4-5-9-20(18)31-22)23(29)27(24)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14H2

Composition: C (56.36%), H (3.74%), Br (15.62%), N (5.48%), O (6.26%), S (12.54%)

Molar Mass: 511.45

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	510.007133
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KZAOVEJNOBVDAV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	131.34
Topological Polar Surface Area	49.74
Polarizability	49.08
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H19BrN2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00