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116869-52-4 | Glycine, N-[[(4-cyanophenyl)amino](cyclooctylamino)methylene]-
CAS No: 116869-52-4 Catalog No: AG000DC8 MDL No:
Product Description
Catalog Number:
AG000DC8
Chemical Name:
Glycine, N-[[(4-cyanophenyl)amino](cyclooctylamino)methylene]-
CAS Number:
116869-52-4
Molecular Formula:
C18H24N4O2
Molecular Weight:
328.4088
IUPAC Name:
2-[[(4-cyanoanilino)-(cyclooctylamino)methylidene]amino]acetic acid
InChI:
InChI=1S/C18H24N4O2/c19-12-14-8-10-16(11-9-14)22-18(20-13-17(23)24)21-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,13H2,(H,23,24)(H2,20,21,22)
InChI Key:
UBLAFJGPMUZLCM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=NCC(=O)O)NC1CCCCCCC1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.416g/mol
Monoisotopic Mass:
328.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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