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tert-butyl N-{2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}carbamate

tert-butyl N-{2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}carbamate

CAS: 2194563-84-1

Formula: C22H33N5O6

SMILES: CC1=NN=C(N=N1)C1=CC=C(OCCOCCOCCOCCNC(=O)OC(C)(C)C)C=C1

IUPAC: tert-butyl N-{2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}carbamate

InChI: InChI=1S/C22H33N5O6/c1-17-24-26-20(27-25-17)18-5-7-19(8-6-18)32-16-15-31-14-13-30-12-11-29-10-9-23-21(28)33-22(2,3)4/h5-8H,9-16H2,1-4H3,(H,23,28)

Composition: C (57.01%), H (7.18%), N (15.11%), O (20.71%)

Molar Mass: 463.535

Atom Count: 66

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 463.243083803
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 1
InChIKey KFLIPLCSHYXBRJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 135.88
Topological Polar Surface Area 126.81
Polarizability 47.49
Ring Count 2
Rotatable Bond Count 16

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