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

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

CAS No.:
2137672-29-6
Catalog Number:
AG01EKV2
Molecular Formula:
C24H22N2O4S
Molecular Weight:
434.5075
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Product Description
Catalog Number:
AG01EKV2
Chemical Name:
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
2137672-29-6
Molecular Formula:
C24H22N2O4S
Molecular Weight:
434.5075
MDL Number:
MFCD31559174
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C24H22N2O4S/c27-23(28)21-12-25-22(31-21)15-6-5-11-26(13-15)24(29)30-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,12,15,20H,5-6,11,13-14H2,(H,27,28)
InChI Key:
JSYLYCZLTIXQGM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1ncc(s1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
654  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties