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

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

CAS No.:
2137710-89-3
Catalog Number:
AG01EKMT
Molecular Formula:
C21H18N2O4S
Molecular Weight:
394.4436
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Product Description
Catalog Number:
AG01EKMT
Chemical Name:
2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CAS Number:
2137710-89-3
Molecular Formula:
C21H18N2O4S
Molecular Weight:
394.4436
MDL Number:
MFCD31421823
IUPAC Name:
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C21H18N2O4S/c1-12-19(20(24)25)23-18(28-12)10-22-21(26)27-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-11H2,1H3,(H,22,26)(H,24,25)
InChI Key:
JFBNATXZJCPQOF-UHFFFAOYSA-N
SMILES:
O=C(NCc1sc(c(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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties