Home Carboxys 1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azepan-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azepan-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
2137578-44-8
Catalog Number:
AG01EKV9
Molecular Formula:
C24H24N4O4
Molecular Weight:
432.4718
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Product Description
Catalog Number:
AG01EKV9
Chemical Name:
1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azepan-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
2137578-44-8
Molecular Formula:
C24H24N4O4
Molecular Weight:
432.4718
MDL Number:
MFCD31558854
IUPAC Name:
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-4-yl]triazole-4-carboxylic acid
InChI:
InChI=1S/C24H24N4O4/c29-23(30)22-14-28(26-25-22)16-6-5-12-27(13-11-16)24(31)32-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,14,16,21H,5-6,11-13,15H2,(H,29,30)
InChI Key:
ZHDUHQUZONESPU-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(CC1)n1nnc(c1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
669  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.18g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
432.48g/mol
Monoisotopic Mass:
432.18g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties