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115205-70-4 | Benzamide, 4-azido-N-[6-oxo-6-(1-pyrenylamino)hexyl]-
CAS No: 115205-70-4 Catalog No: AG000GGK MDL No:
Product Description
Catalog Number:
AG000GGK
Chemical Name:
Benzamide, 4-azido-N-[6-oxo-6-(1-pyrenylamino)hexyl]-
CAS Number:
115205-70-4
Molecular Formula:
C29H25N5O2
Molecular Weight:
475.5411
IUPAC Name:
4-azido-N-[6-oxo-6-(pyren-1-ylamino)hexyl]benzamide
InChI:
InChI=1S/C29H25N5O2/c30-34-33-23-14-10-22(11-15-23)29(36)31-18-3-1-2-7-26(35)32-25-17-13-21-9-8-19-5-4-6-20-12-16-24(25)28(21)27(19)20/h4-6,8-17H,1-3,7,18H2,(H,31,36)(H,32,35)
InChI Key:
LQEVXSNHIWBUPS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
819
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.201g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
475.552g/mol
Monoisotopic Mass:
475.201g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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