hexyl 2-{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}acetate

hexyl 2-{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}acetate

Formula: C26H27NO4

SMILES: CCCCCCOC(=O)CN1C(=O)C2C(C3C4=C(C=CC=C4)C2C2=C3C=CC=C2)C1=O

IUPAC: hexyl 2-{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}acetate

InChI: InChI=1/C26H27NO4/c1-2-3-4-9-14-31-20(28)15-27-25(29)23-21-16-10-5-6-11-17(16)22(24(23)26(27)30)19-13-8-7-12-18(19)21/h5-8,10-13,21-24H,2-4,9,14-15H2,1H3

Composition: C (74.80%), H (6.52%), N (3.35%), O (15.33%)

Molar Mass: 417.505

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	417.194008353
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PUXMEMJYBFYJHV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.82
Topological Polar Surface Area	63.68
Polarizability	45.55
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00