200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 108583-90-0
108583-90-0 | N-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-beta-alanine
CAS No: 108583-90-0 Catalog No: AG00J4PY MDL No:MFCD12027225
Product Description
Catalog Number:
AG00J4PY
Chemical Name:
N-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-beta-alanine
CAS Number:
108583-90-0
Molecular Formula:
C13H16N2O5S
Molecular Weight:
312.3415
MDL Number:
MFCD12027225
IUPAC Name:
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C13H16N2O5S/c1-9(16)15-7-5-10-8-11(2-3-12(10)15)21(19,20)14-6-4-13(17)18/h2-3,8,14H,4-7H2,1H3,(H,17,18)
InChI Key:
AUTZTZHBEWMTCY-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.34g/mol
Monoisotopic Mass:
312.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.