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

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

CAS No.:
2137472-46-7
Catalog Number:
AG01EKQR
Molecular Formula:
C22H20N4O4
Molecular Weight:
404.4186
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Product Description
Catalog Number:
AG01EKQR
Chemical Name:
7-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CAS Number:
2137472-46-7
Molecular Formula:
C22H20N4O4
Molecular Weight:
404.4186
MDL Number:
MFCD31615465
IUPAC Name:
7-(9H-fluoren-9-ylmethoxycarbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C22H20N4O4/c1-13-23-24-20-11-26(19(21(27)28)10-25(13)20)22(29)30-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,27,28)
InChI Key:
REEFESJASHDRPY-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cn2c(CN1C(=O)OCC1c3ccccc3c3c1cccc3)nnc2C
Properties
Complexity:
654  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.148g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
404.426g/mol
Monoisotopic Mass:
404.148g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties