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

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

Formula: C24H26N2O5

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

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

InChI: InChI=1/C24H26N2O5/c1-3-10-31-24(30)13-4-6-14(7-5-13)25-21(27)12(2)26-22(28)19-15-8-9-16(18-11-17(15)18)20(19)23(26)29/h4-9,12,15-20H,3,10-11H2,1-2H3,(H,25,27)

Composition: C (68.23%), H (6.20%), N (6.63%), O (18.93%)

Molar Mass: 422.481

Atom Count: 57

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	7
Exact Mass	422.184171945
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VKYHQOHLAXSXHV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.99
Topological Polar Surface Area	92.78
Polarizability	43.57
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H26N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00