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

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

CAS No.:
2138512-09-9
Catalog Number:
AG01EKPA
Molecular Formula:
C24H22N2O4S
Molecular Weight:
434.5075
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Product Description
Catalog Number:
AG01EKPA
Chemical Name:
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CAS Number:
2138512-09-9
Molecular Formula:
C24H22N2O4S
Molecular Weight:
434.5075
MDL Number:
MFCD31591614
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C24H22N2O4S/c27-23(28)21-14-31-22(25-21)15-9-11-26(12-10-15)24(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,27,28)
InChI Key:
HENQIDUUJPCJQQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1scc(n1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
646  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.13g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
434.51g/mol
Monoisotopic Mass:
434.13g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties