pentyl 2-{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

pentyl 2-{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: C30H25Br2NO4

SMILES: CCCCCOC(=O)C1=CC=CC=C1N1C(=O)C2C(C1=O)C1(Br)C3=C(C=CC=C3)C2(Br)C2=C1C=CC=C2

IUPAC: pentyl 2-{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/C30H25Br2NO4/c1-2-3-10-17-37-28(36)18-11-4-9-16-23(18)33-26(34)24-25(27(33)35)30(32)20-13-6-5-12-19(20)29(24,31)21-14-7-8-15-22(21)30/h4-9,11-16,24-25H,2-3,10,17H2,1H3

Composition: C (57.81%), H (4.04%), Br (25.64%), N (2.25%), O (10.27%)

Molar Mass: 623.341

Atom Count: 62

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	621.015034
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XILWPYLBYOTUOY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	148.08
Topological Polar Surface Area	63.68
Polarizability	56.79
Ring Count	6
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H25Br2NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00