Home Carboxys 2-Tert-Butyl 11-Benzyl 6-Oxo-2,7,11-Triaza-Dispiro[3.0.4.3]Dodecane-2,11-Dicarboxylate

2-Tert-Butyl 11-Benzyl 6-Oxo-2,7,11-Triaza-Dispiro[3.0.4.3]Dodecane-2,11-Dicarboxylate

CAS No.:
1445951-22-3
Catalog Number:
AG00HX4J
Molecular Formula:
C22H29N3O5
Molecular Weight:
415.4828
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Product Description
Catalog Number:
AG00HX4J
Chemical Name:
2-Tert-Butyl 11-Benzyl 6-Oxo-2,7,11-Triaza-Dispiro[3.0.4.3]Dodecane-2,11-Dicarboxylate
CAS Number:
1445951-22-3
Molecular Formula:
C22H29N3O5
Molecular Weight:
415.4828
MDL Number:
MFCD25509327
IUPAC Name:
11-O-benzyl 2-O-tert-butyl 6-oxo-2,7,11-triazadispiro[3.0.45.34]dodecane-2,11-dicarboxylate
InChI:
InChI=1S/C22H29N3O5/c1-20(2,3)30-19(28)24-12-21(13-24)14-25(15-22(21)9-10-23-17(22)26)18(27)29-11-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,23,26)
InChI Key:
ZSRIBJYGFXRJRG-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C3(C1)CN(C3)C(=O)OC(C)(C)C)CCNC2=O)OCc1ccccc1
Properties
Complexity:
706  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.211g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
415.49g/mol
Monoisotopic Mass:
415.211g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties