Home Carbonyls 2-(2-ethyl-1,3-thiazol-4-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid

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

CAS No.:
1869395-97-0
Catalog Number:
AG01EKM5
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
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Product Description
Catalog Number:
AG01EKM5
Chemical Name:
2-(2-ethyl-1,3-thiazol-4-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid
CAS Number:
1869395-97-0
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
MDL Number:
MFCD31558787
IUPAC Name:
2-(2-ethyl-1,3-thiazol-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
InChI:
InChI=1S/C22H20N2O4S/c1-2-19-23-18(12-29-19)20(21(25)26)24-22(27)28-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17,20H,2,11H2,1H3,(H,24,27)(H,25,26)
InChI Key:
KNCLJKRSNOXRHO-UHFFFAOYSA-N
SMILES:
CCc1scc(n1)C(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties