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}phenyl benzenesulfonate

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}phenyl benzenesulfonate

Formula: C30H21NO5S

SMILES: O=C1C2C(C3C4=CC=CC=C4C2C2=C3C=CC=C2)C(=O)N1C1=CC=CC(OS(=O)(=O)C2=CC=CC=C2)=C1

IUPAC: 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}phenyl benzenesulfonate

InChI: InChI=1/C30H21NO5S/c32-29-27-25-21-13-4-5-14-22(21)26(24-16-7-6-15-23(24)25)28(27)30(33)31(29)18-9-8-10-19(17-18)36-37(34,35)20-11-2-1-3-12-20/h1-17,25-28H

Composition: C (70.99%), H (4.17%), N (2.76%), O (15.76%), S (6.32%)

Molar Mass: 507.56

Atom Count: 58

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	507.114043954
Formal Charge	0
FSP3	0.13
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PMXFRCJRHAZIRP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	137.55
Topological Polar Surface Area	80.75
Polarizability	54.02
Ring Count	7
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H21NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00