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115087-91-7 | 2-Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-5-azacyclotridec-1-yl-6-chloro-
CAS No: 115087-91-7 Catalog No: AG000FVE MDL No:
Product Description
Catalog Number:
AG000FVE
Chemical Name:
2-Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-5-azacyclotridec-1-yl-6-chloro-
CAS Number:
115087-91-7
Molecular Formula:
C18H30ClN7O
Molecular Weight:
395.9301
IUPAC Name:
3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
InChI:
InChI=1S/C18H30ClN7O/c19-14-16(24-15(20)13(23-14)17(27)25-18(21)22)26-11-9-7-5-3-1-2-4-6-8-10-12-26/h1-12H2,(H2,20,24)(H4,21,22,25,27)
InChI Key:
HDKCYEOARZXCLR-UHFFFAOYSA-N
SMILES:
NN=CNC(=O)c1nc(Cl)cnc1C1CCCCCCCCNCC(C1)N
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.22g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
395.936g/mol
Monoisotopic Mass:
395.22g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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