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

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

CAS No.:
1518885-04-5
Catalog Number:
AG01BXS0
Molecular Formula:
C21H18N2O4S
Molecular Weight:
394.4436
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Product Description
Catalog Number:
AG01BXS0
Chemical Name:
2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]-1,3-thiazole-4-carboxylic acid
CAS Number:
1518885-04-5
Molecular Formula:
C21H18N2O4S
Molecular Weight:
394.4436
MDL Number:
MFCD21763479
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C21H18N2O4S/c1-12(19-23-18(11-28-19)20(24)25)22-21(26)27-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,11-12,17H,10H2,1H3,(H,22,26)(H,24,25)
InChI Key:
WZRZALGUGRHPEX-UHFFFAOYSA-N
SMILES:
O=C(NC(c1scc(n1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
567  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.099g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
394.445g/mol
Monoisotopic Mass:
394.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties