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Home > Indoles and Oxindole > 905819-12-7
905819-12-7 | 4H-Thiazolo[5,4-b]indole, 4-acetyl-2-(2,5-dioxo-1-pyrrolidinyl)-
CAS No: 905819-12-7 Catalog No: AG006O39 MDL No:
Product Description
Catalog Number:
AG006O39
Chemical Name:
4H-Thiazolo[5,4-b]indole, 4-acetyl-2-(2,5-dioxo-1-pyrrolidinyl)-
CAS Number:
905819-12-7
Molecular Formula:
C15H11N3O3S
Molecular Weight:
313.3311
IUPAC Name:
1-(4-acetyl-[1,3]thiazolo[5,4-b]indol-2-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C15H11N3O3S/c1-8(19)17-10-5-3-2-4-9(10)13-14(17)22-15(16-13)18-11(20)6-7-12(18)21/h2-5H,6-7H2,1H3
InChI Key:
QKBIVYFEXQAWGV-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1nc2c(s1)n(c1c2cccc1)C(=O)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.331g/mol
Monoisotopic Mass:
313.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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