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

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

Formula: C26H23NO4

SMILES: CCC1=CC=C(OC(=O)C2=CC=C(C=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1

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

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

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	UEGMZJINMGEAJQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.06
Topological Polar Surface Area	63.68
Polarizability	44.45
Ring Count	6
Rotatable Bond Count	5

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