4-acetylphenyl 3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

4-acetylphenyl 3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

Formula: C26H21NO5

SMILES: CC(=O)C1=CC=C(OC(=O)C2=CC(=CC=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1

IUPAC: 4-acetylphenyl 3-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

InChI: InChI=1/C26H21NO5/c1-13(28)14-5-7-17(8-6-14)32-26(31)15-3-2-4-16(11-15)27-24(29)22-18-9-10-19(21-12-20(18)21)23(22)25(27)30/h2-11,18-23H,12H2,1H3

Composition: C (73.06%), H (4.95%), N (3.28%), O (18.71%)

Molar Mass: 427.456

Atom Count: 53

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	427.14197278
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SYHZFNWVMRIJCN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.82
Topological Polar Surface Area	80.75
Polarizability	44.59
Ring Count	6
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H21NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00