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

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

CAS No.:
2092501-01-2
Catalog Number:
AG01AJN2
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
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Product Description
Catalog Number:
AG01AJN2
Chemical Name:
2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
2092501-01-2
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
MDL Number:
MFCD31559869
IUPAC Name:
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C22H20N2O4S/c1-13-20(21(25)26)29-19(24-13)10-11-23-22(27)28-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-12H2,1H3,(H,23,27)(H,25,26)
InChI Key:
ZMAYXELJHIDUHU-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCc1nc(c(s1)C(=O)O)C
Properties
Complexity:
581  
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:
7  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties