2-oxo-2-phenylethyl 3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzoate

2-oxo-2-phenylethyl 3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzoate

Formula: C33H23NO5

SMILES: O=C(COC(=O)C1=CC(=CC=C1)N1C(=O)C2C(C3C4=CC=CC=C4C2C2=C3C=CC=C2)C1=O)C1=CC=CC=C1

IUPAC: 2-oxo-2-phenylethyl 3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzoate

InChI: InChI=1/C33H23NO5/c35-26(19-9-2-1-3-10-19)18-39-33(38)20-11-8-12-21(17-20)34-31(36)29-27-22-13-4-5-14-23(22)28(30(29)32(34)37)25-16-7-6-15-24(25)27/h1-17,27-30H,18H2

Composition: C (77.18%), H (4.51%), N (2.73%), O (15.58%)

Molar Mass: 513.549

Atom Count: 62

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	513.157622845
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CAVHNEHDLXQPPX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	144.59
Topological Polar Surface Area	80.75
Polarizability	55.54
Ring Count	7
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C33H23NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00