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139062-36-5 | 4-Thiazolidinecarboxylic acid, 2-(1H-indol-3-ylmethyl)-, methyl ester
CAS No: 139062-36-5 Catalog No: AG001A45 MDL No:
Product Description
Catalog Number:
AG001A45
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-(1H-indol-3-ylmethyl)-, methyl ester
CAS Number:
139062-36-5
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
IUPAC Name:
methyl 2-(1H-indol-3-ylmethyl)-1,3-thiazolidine-4-carboxylate
InChI:
InChI=1S/C14H16N2O2S/c1-18-14(17)12-8-19-13(16-12)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12-13,15-16H,6,8H2,1H3
InChI Key:
KXYVYUDOHXGERI-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSC(N1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.354g/mol
Monoisotopic Mass:
276.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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