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88337-78-4 | 4-Thiazolidinecarboxylic acid, 3-(1H-indol-3-ylacetyl)-
CAS No: 88337-78-4 Catalog No: AG0046PJ MDL No:
Product Description
Catalog Number:
AG0046PJ
Chemical Name:
4-Thiazolidinecarboxylic acid, 3-(1H-indol-3-ylacetyl)-
CAS Number:
88337-78-4
Molecular Formula:
C14H14N2O3S
Molecular Weight:
290.3376
IUPAC Name:
3-[2-(1H-indol-3-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C14H14N2O3S/c17-13(16-8-20-7-12(16)14(18)19)5-9-6-15-11-4-2-1-3-10(9)11/h1-4,6,12,15H,5,7-8H2,(H,18,19)
InChI Key:
AKDAQSCUQDCXGP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSCN1C(=O)Cc1c[nH]c2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.337g/mol
Monoisotopic Mass:
290.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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