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

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

CAS No.:
2137446-63-8
Catalog Number:
AG01EKTY
Molecular Formula:
C25H21NO5S
Molecular Weight:
447.5029
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Product Description
Catalog Number:
AG01EKTY
Chemical Name:
3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CAS Number:
2137446-63-8
Molecular Formula:
C25H21NO5S
Molecular Weight:
447.5029
MDL Number:
MFCD31718352
IUPAC Name:
3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C25H21NO5S/c27-16-11-9-15(10-12-16)23-26(22(14-32-23)24(28)29)25(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-23,27H,13-14H2,(H,28,29)
InChI Key:
IIQPJESQDNAUND-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1C(=O)OCC1c2ccccc2c2c1cccc2)c1ccc(cc1)O
Properties
Complexity:
674  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.114g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
447.505g/mol
Monoisotopic Mass:
447.114g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties