3-acetylphenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-3-phenylpropanoate

3-acetylphenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-3-phenylpropanoate

Formula: C28H25NO5

SMILES: CC(=O)C1=CC(OC(=O)C(CC2=CC=CC=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)=CC=C1

IUPAC: 3-acetylphenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-3-phenylpropanoate

InChI: InChI=1/C28H25NO5/c1-15(30)17-8-5-9-18(13-17)34-28(33)23(12-16-6-3-2-4-7-16)29-26(31)24-19-10-11-20(22-14-21(19)22)25(24)27(29)32/h2-11,13,19-25H,12,14H2,1H3

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	7
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	PNRRWQNCSQJDSB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.98
Topological Polar Surface Area	80.75
Polarizability	48.31
Ring Count	6
Rotatable Bond Count	7

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