Home Carboxys 2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

CAS No.:
2137787-63-2
Catalog Number:
AG01EKPP
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
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Product Description
Catalog Number:
AG01EKPP
Chemical Name:
2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
2137787-63-2
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
MDL Number:
MFCD31615471
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C22H20N2O4S/c1-12-19(21(25)26)29-20(23-12)13(2)24-22(27)28-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,11H2,1-2H3,(H,24,27)(H,25,26)
InChI Key:
UVWNHNRXQAIGOU-UHFFFAOYSA-N
SMILES:
O=C(NC(c1nc(c(s1)C(=O)O)C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.114g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
408.472g/mol
Monoisotopic Mass:
408.114g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties