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184824-41-7

184824-41-7 | 1,4,7,10-Tetraazacyclotridecane-11,13-dione, 4-(2-quinolinylmethyl)-

CAS No: 184824-41-7 Catalog No: AG007RWI MDL No:

Product Description

Catalog Number:
AG007RWI
Chemical Name:
1,4,7,10-Tetraazacyclotridecane-11,13-dione, 4-(2-quinolinylmethyl)-
CAS Number:
184824-41-7
Molecular Formula:
C19H25N5O2
Molecular Weight:
355.4341
IUPAC Name:
4-(quinolin-2-ylmethyl)-1,4,7,10-tetrazacyclotridecane-11,13-dione
InChI:
InChI=1S/C19H25N5O2/c25-18-13-19(26)22-10-12-24(11-9-20-7-8-21-18)14-16-6-5-15-3-1-2-4-17(15)23-16/h1-6,20H,7-14H2,(H,21,25)(H,22,26)
InChI Key:
IEWSAHIUUFNXJR-UHFFFAOYSA-N
SMILES:
O=C1NCCN(CCNCCNC(=O)C1)Cc1ccc2c(n1)cccc2

Properties

Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.201g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
355.442g/mol
Monoisotopic Mass:
355.201g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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