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

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

CAS No.:
2137931-76-9
Catalog Number:
AG01EKY9
Molecular Formula:
C25H24N2O4S
Molecular Weight:
448.5341
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Product Description
Catalog Number:
AG01EKY9
Chemical Name:
2-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid
CAS Number:
2137931-76-9
Molecular Formula:
C25H24N2O4S
Molecular Weight:
448.5341
MDL Number:
MFCD31591979
IUPAC Name:
2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C25H24N2O4S/c28-24(29)22-14-26-23(32-22)13-16-9-11-27(12-10-16)25(30)31-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,14,16,21H,9-13,15H2,(H,28,29)
InChI Key:
JNAGCOMQNIKGSK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Cc1ncc(s1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
661  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.146g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
448.537g/mol
Monoisotopic Mass:
448.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties