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

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

Formula: C26H23NO4

SMILES: CC1=CC(OC(=O)C2=CC=C(C=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)=CC(C)=C1

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

InChI: InChI=1/C26H23NO4/c1-13-9-14(2)11-17(10-13)31-26(30)15-3-5-16(6-4-15)27-24(28)22-18-7-8-19(21-12-20(18)21)23(22)25(27)29/h3-11,18-23H,12H2,1-2H3

Composition: C (75.53%), H (5.61%), N (3.39%), O (15.48%)

Molar Mass: 413.473

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	413.162708225
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OJZLFWQKAHCAHH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.5
Topological Polar Surface Area	63.68
Polarizability	44.37
Ring Count	6
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H23NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00