2-(2,5-dimethylphenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

2-(2,5-dimethylphenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

Formula: C28H25NO5

SMILES: CC1=CC=C(C)C(=C1)C(=O)COC(=O)C1=CC=CC=C1N1C(=O)C2C(C3C=CC2C2CC32)C1=O

IUPAC: 2-(2,5-dimethylphenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

InChI: InChI=1/C28H25NO5/c1-14-7-8-15(2)19(11-14)23(30)13-34-28(33)18-5-3-4-6-22(18)29-26(31)24-16-9-10-17(21-12-20(16)21)25(24)27(29)32/h3-11,16-17,20-21,24-25H,12-13H2,1-2H3

Composition: C (73.83%), H (5.53%), N (3.08%), O (17.56%)

Molar Mass: 455.51

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	455.173272909
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YTYVWKQNBOUIQA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	126.62
Topological Polar Surface Area	80.75
Polarizability	48.14
Ring Count	6
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H25NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00