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

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

CAS No.:
2138384-35-5
Catalog Number:
AG01EKW9
Molecular Formula:
C22H22N4O4
Molecular Weight:
406.4345
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Product Description
Catalog Number:
AG01EKW9
Chemical Name:
1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butyl]-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
2138384-35-5
Molecular Formula:
C22H22N4O4
Molecular Weight:
406.4345
MDL Number:
MFCD31558796
IUPAC Name:
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]triazole-4-carboxylic acid
InChI:
InChI=1S/C22H22N4O4/c27-21(28)20-13-26(25-24-20)12-6-5-11-23-22(29)30-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,13,19H,5-6,11-12,14H2,(H,23,29)(H,27,28)
InChI Key:
WSAOIKVSAXSXOW-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCCCn1nnc(c1)C(=O)O
Properties
Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.164g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
406.442g/mol
Monoisotopic Mass:
406.164g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties