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

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

CAS No.:
2138134-03-7
Catalog Number:
AG01EKUC
Molecular Formula:
C25H24N2O4S
Molecular Weight:
448.5341
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Product Description
Catalog Number:
AG01EKUC
Chemical Name:
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
2138134-03-7
Molecular Formula:
C25H24N2O4S
Molecular Weight:
448.5341
MDL Number:
MFCD31558813
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C25H24N2O4S/c1-15-22(24(28)29)32-23(26-15)16-10-12-27(13-11-16)25(30)31-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21H,10-14H2,1H3,(H,28,29)
InChI Key:
NYNCMAUNGBTZTH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1nc(c(s1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
675  
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:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties