2-[4-(benzyloxy)phenyl]-5,7,9-triazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),3(8),11(16),12,14-pentaene-4,6,17-trione

2-[4-(benzyloxy)phenyl]-5,7,9-triazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),3(8),11(16),12,14-pentaene-4,6,17-trione

Formula: C27H19N3O4

SMILES: O=C1C2=C(C=CC=C2)C2=C1C(C1=CC=C(OCC3=CC=CC=C3)C=C1)C1=C(N2)NC(=O)NC1=O

IUPAC: 2-[4-(benzyloxy)phenyl]-5,7,9-triazatetracyclo[8.7.0.0³,?.0¹¹,¹?]heptadeca-1(10),3(8),11(16),12,14-pentaene-4,6,17-trione

InChI: InChI=1/C27H19N3O4/c31-24-19-9-5-4-8-18(19)23-21(24)20(22-25(28-23)29-27(33)30-26(22)32)16-10-12-17(13-11-16)34-14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H3,28,29,30,32,33)

Composition: C (72.15%), H (4.26%), N (9.35%), O (14.24%)

Molar Mass: 449.466

Atom Count: 53

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	449.137556104
Formal Charge	0
FSP3	0.07
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	QFOHSEUXOZFJTJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	136.16
Topological Polar Surface Area	96.53
Polarizability	47.69
Ring Count	6
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H19N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00