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141968-43-6 | 1-Naphthaleneacetamide, N-(2,4-dioxo-1,5,9-triazacyclododec-3-yl)-
CAS No: 141968-43-6 Catalog No: AG001HGD MDL No:
Product Description
Catalog Number:
AG001HGD
Chemical Name:
1-Naphthaleneacetamide, N-(2,4-dioxo-1,5,9-triazacyclododec-3-yl)-
CAS Number:
141968-43-6
Molecular Formula:
C21H26N4O3
Molecular Weight:
382.4561
IUPAC Name:
N-(2,4-dioxo-1,5,9-triazacyclododec-3-yl)-2-naphthalen-1-ylacetamide
InChI:
InChI=1S/C21H26N4O3/c26-18(14-16-8-3-7-15-6-1-2-9-17(15)16)25-19-20(27)23-12-4-10-22-11-5-13-24-21(19)28/h1-3,6-9,19,22H,4-5,10-14H2,(H,23,27)(H,24,28)(H,25,26)
InChI Key:
GDWSCEBXVAIESV-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccc2c1cccc2)NC1C(=O)NCCCNCCCNC1=O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
382.464g/mol
Monoisotopic Mass:
382.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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