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

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

Formula: C26H22N2O5

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

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

InChI: InChI=1/C26H22N2O5/c1-33-26(32)13-5-7-15(8-6-13)27-23(29)14-3-2-4-16(11-14)28-24(30)21-17-9-10-18(20-12-19(17)20)22(21)25(28)31/h2-11,17-22H,12H2,1H3,(H,27,29)

Composition: C (70.58%), H (5.01%), N (6.33%), O (18.08%)

Molar Mass: 442.471

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	442.152871816
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MXPJBCSKVPHJGA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.17
Topological Polar Surface Area	92.78
Polarizability	45.74
Ring Count	6
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H22N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00