benzyl 3-{1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoate

benzyl 3-{1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoate

Formula: C32H21Br2NO4

SMILES: BrC12C3C(C(=O)N(C3=O)C3=CC(=CC=C3)C(=O)OCC3=CC=CC=C3)C(Br)(C3=C1C=CC=C3)C1=C2C=CC=C1

IUPAC: benzyl 3-{1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoate

InChI: InChI=1/C32H21Br2NO4/c33-31-22-13-4-5-14-23(22)32(34,25-16-7-6-15-24(25)31)27-26(31)28(36)35(29(27)37)21-12-8-11-20(17-21)30(38)39-18-19-9-2-1-3-10-19/h1-17,26-27H,18H2

Composition: C (59.74%), H (3.29%), Br (24.84%), N (2.18%), O (9.95%)

Molar Mass: 643.331

Atom Count: 60

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	640.983734
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VPBQZMOPBYTCEQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	154.22
Topological Polar Surface Area	63.68
Polarizability	58.97
Ring Count	7
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C32H21Br2NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00