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164104-32-9 | 4-Thiazolidinecarboxylic acid, 2-[(4R)-4,5-dihydro-2-(2-hydroxyphenyl)-4-thiazolyl]-3-methyl-, (2S,4R)-
CAS No: 164104-32-9 Catalog No: AG001UND MDL No:
Product Description
Catalog Number:
AG001UND
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-[(4R)-4,5-dihydro-2-(2-hydroxyphenyl)-4-thiazolyl]-3-methyl-, (2S,4R)-
CAS Number:
164104-32-9
Molecular Formula:
C14H16N2O3S2
Molecular Weight:
324.4184
IUPAC Name:
(2S,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13+/m1/s1
InChI Key:
NYBZAGXTZXPYND-NRUUGDAUSA-N
SMILES:
OC(=O)[C@@H]1CS[C@H](N1C)[C@H]1CSC(=N1)c1ccccc1O
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
324.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.413g/mol
Monoisotopic Mass:
324.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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