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27620-96-8 | 2,13-Dioxa-10,26-diazatricyclo[20.2.2.29,12]octacosane-3,14-dione
CAS No: 27620-96-8 Catalog No: AG002UA2 MDL No:
Product Description
Catalog Number:
AG002UA2
Chemical Name:
2,13-Dioxa-10,26-diazatricyclo[20.2.2.29,12]octacosane-3,14-dione
CAS Number:
27620-96-8
Molecular Formula:
C24H42N2O4
Molecular Weight:
422.6013
IUPAC Name:
2,13-dioxa-10,23-diazatricyclo[20.2.2.29,12]octacosane-3,14-dione
InChI:
InChI=1S/C24H42N2O4/c27-23-11-7-3-1-2-5-9-19-13-15-22(17-25-19)30-24(28)12-8-4-6-10-20-14-16-21(29-23)18-26-20/h19-22,25-26H,1-18H2
InChI Key:
ORSFAMVAGSEFQQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCC2CCC(CN2)OC(=O)CCCCCC2CCC(O1)CN2
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.314g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.61g/mol
Monoisotopic Mass:
422.314g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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