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}benzoic acid

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}benzoic acid

Formula: C25H17NO4

SMILES: OC(=O)C1=CC=CC=C1N1C(=O)C2C(C3C4=C(C=CC=C4)C2C2=C3C=CC=C2)C1=O

IUPAC: 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}benzoic acid

InChI: InChI=1/C25H17NO4/c27-23-21-19-13-7-1-2-8-14(13)20(16-10-4-3-9-15(16)19)22(21)24(28)26(23)18-12-6-5-11-17(18)25(29)30/h1-12,19-22H,(H,29,30)

Composition: C (75.94%), H (4.33%), N (3.54%), O (16.18%)

Molar Mass: 395.414

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	395.115758031
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KYBLCSMSEXHJLG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.92
Topological Polar Surface Area	74.68
Polarizability	41.96
Ring Count	6
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H17NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00