2-methylpropyl 3-{1-bromo-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

2-methylpropyl 3-{1-bromo-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: C29H24BrNO4

SMILES: CC(C)COC(=O)C1=CC=CC(=C1)N1C(=O)C2C(C1=O)C1(Br)C3=C(C=CC=C3)C2C2=C1C=CC=C2

IUPAC: 2-methylpropyl 3-{1-bromo-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/C29H24BrNO4/c1-16(2)15-35-28(34)17-8-7-9-18(14-17)31-26(32)24-23-19-10-3-5-12-21(19)29(30,25(24)27(31)33)22-13-6-4-11-20(22)23/h3-14,16,23-25H,15H2,1-2H3

Composition: C (65.67%), H (4.56%), Br (15.06%), N (2.64%), O (12.07%)

Molar Mass: 530.418

Atom Count: 59

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	529.088871
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NBCZZQMAMSZKIN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	135.89
Topological Polar Surface Area	63.68
Polarizability	52.2
Ring Count	6
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H24BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00