Home Carboxys 7-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazine-6-carboxylic acid

7-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazine-6-carboxylic acid

CAS No.:
2137493-56-0
Catalog Number:
AG01EKRF
Molecular Formula:
C21H18N4O5
Molecular Weight:
406.3914
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Product Description
Catalog Number:
AG01EKRF
Chemical Name:
7-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazine-6-carboxylic acid
CAS Number:
2137493-56-0
Molecular Formula:
C21H18N4O5
Molecular Weight:
406.3914
MDL Number:
MFCD31559167
IUPAC Name:
7-(9H-fluoren-9-ylmethoxycarbonyl)-3-oxo-5,6,8,8a-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C21H18N4O5/c26-19(27)17-9-25-18(22-23-20(25)28)10-24(17)21(29)30-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-18H,9-11H2,(H,26,27)
InChI Key:
WGRDLHAWAHMKJA-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cn2c(CN1C(=O)OCC1c3ccccc3c3c1cccc3)n[nH]c2=O
Properties
Complexity:
736  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.128g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
406.398g/mol
Monoisotopic Mass:
406.128g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties