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

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

CAS No.:
2137851-57-9
Catalog Number:
AG01EL2D
Molecular Formula:
C21H20N4O4
Molecular Weight:
392.4079
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Product Description
Catalog Number:
AG01EL2D
Chemical Name:
1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propyl]-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
2137851-57-9
Molecular Formula:
C21H20N4O4
Molecular Weight:
392.4079
MDL Number:
MFCD31629044
IUPAC Name:
1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]triazole-4-carboxylic acid
InChI:
InChI=1S/C21H20N4O4/c26-20(27)19-12-25(24-23-19)11-5-10-22-21(28)29-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,12,18H,5,10-11,13H2,(H,22,28)(H,26,27)
InChI Key:
WUXQVOXKRJELGV-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCCn1nnc(c1)C(=O)O
Properties
Complexity:
567  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.148g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
392.415g/mol
Monoisotopic Mass:
392.148g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties