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77900-45-9 | 2-[3-[13-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propyl]isoindole-1,3-dione
CAS No: 77900-45-9 Catalog No: AG005QNI MDL No:
Product Description
Catalog Number:
AG005QNI
Chemical Name:
2-[3-[13-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propyl]isoindole-1,3-dione
CAS Number:
77900-45-9
Molecular Formula:
C32H40N4O7
Molecular Weight:
592.6826
IUPAC Name:
2-[3-[13-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]propyl]isoindole-1,3-dione
InChI:
InChI=1S/C32H40N4O7/c37-29-25-7-1-2-8-26(25)30(38)35(29)13-5-11-33-15-19-41-20-16-34(18-22-43-24-23-42-21-17-33)12-6-14-36-31(39)27-9-3-4-10-28(27)32(36)40/h1-4,7-10H,5-6,11-24H2
InChI Key:
NIYMOQVARIIMHI-UHFFFAOYSA-N
SMILES:
O=C1N(CCCN2CCOCCN(CCCN3C(=O)c4c(C3=O)cccc4)CCOCCOCC2)C(=O)c2c1cccc2
NSC Number:
353102
Properties
Complexity:
842
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.29g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.693g/mol
Monoisotopic Mass:
592.29g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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