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tert-butyl N-[2-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)ethyl]carbamate

tert-butyl N-[2-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)ethyl]carbamate

CAS: 1807501-87-6

Formula: C22H36N2O6

SMILES: CC(C)(C)OC(=O)NCCOCCOCCNC(=O)OCC1C2CCC#CCCC12

IUPAC: tert-butyl N-{2-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]ethyl}carbamate

InChI: InChI=1/C22H36N2O6/c1-22(2,3)30-21(26)24-11-13-28-15-14-27-12-10-23-20(25)29-16-19-17-8-6-4-5-7-9-18(17)19/h17-19H,6-16H2,1-3H3,(H,23,25)(H,24,26)

Composition: C (62.24%), H (8.55%), N (6.60%), O (22.61%)

Molar Mass: 424.538

Atom Count: 66

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 424.257336887
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XPXWWKJBIIPHLJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.9
Topological Polar Surface Area 95.12
Polarizability 43.95
Ring Count 2
Rotatable Bond Count 14

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