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

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

CAS No.:
2137785-49-8
Catalog Number:
AG01EL2C
Molecular Formula:
C23H20N2O4S
Molecular Weight:
420.4809
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Product Description
Catalog Number:
AG01EL2C
Chemical Name:
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl)-1,3-thiazole-4-carboxylic acid
CAS Number:
2137785-49-8
Molecular Formula:
C23H20N2O4S
Molecular Weight:
420.4809
MDL Number:
MFCD31615469
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C23H20N2O4S/c26-22(27)19-13-30-21(24-19)20-10-5-11-25(20)23(28)29-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,13,18,20H,5,10-12H2,(H,26,27)
InChI Key:
KSLNOXVCFIIJDR-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1c1scc(n1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
639  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.114g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
420.483g/mol
Monoisotopic Mass:
420.114g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties