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

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

CAS No.:
2138372-34-4
Catalog Number:
AG01EKHP
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
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Product Description
Catalog Number:
AG01EKHP
Chemical Name:
2-[2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethyl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
2138372-34-4
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
MDL Number:
MFCD31592250
IUPAC Name:
2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C22H20N2O4S/c25-21(26)11-14-13-29-20(24-14)9-10-23-22(27)28-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13,19H,9-12H2,(H,23,27)(H,25,26)
InChI Key:
GXIRZXZBHDXTLC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)CCNC(=O)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:
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:
8  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties