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163936-90-1 | 1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 1-(8-quinolinylmethyl)-
CAS No: 163936-90-1 Catalog No: AG007VO9 MDL No:
Product Description
Catalog Number:
AG007VO9
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 1-(8-quinolinylmethyl)-
CAS Number:
163936-90-1
Molecular Formula:
C20H27N5O2
Molecular Weight:
369.4607
IUPAC Name:
1-(quinolin-8-ylmethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione
InChI:
InChI=1S/C20H27N5O2/c26-18-14-19(27)23-11-13-25(12-3-7-21-9-10-22-18)15-17-5-1-4-16-6-2-8-24-20(16)17/h1-2,4-6,8,21H,3,7,9-15H2,(H,22,26)(H,23,27)
InChI Key:
VNERGXSUMMZNCK-UHFFFAOYSA-N
SMILES:
O=C1NCCN(CCCNCCNC(=O)C1)Cc1cccc2c1nccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.216g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
369.469g/mol
Monoisotopic Mass:
369.216g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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