ethyl 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

ethyl 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: C27H20BrNO4

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

IUPAC: ethyl 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/C27H20BrNO4/c1-2-33-26(32)15-8-7-9-16(14-15)29-24(30)22-21-17-10-3-5-12-19(17)27(28,23(22)25(29)31)20-13-6-4-11-18(20)21/h3-14,21-23H,2H2,1H3

Composition: C (64.55%), H (4.01%), Br (15.91%), N (2.79%), O (12.74%)

Molar Mass: 502.364

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	501.057571
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HMGAWUGCBUXVSE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	126.9
Topological Polar Surface Area	63.68
Polarizability	48.54
Ring Count	6
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H20BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00