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Home > Indoles and Oxindole > 681837-50-3
681837-50-3 | 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-indole-2,3-dione
CAS No: 681837-50-3 Catalog No: AG00JHE1 MDL No:MFCD03767428
Product Description
Catalog Number:
AG00JHE1
Chemical Name:
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-indole-2,3-dione
CAS Number:
681837-50-3
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
MDL Number:
MFCD03767428
IUPAC Name:
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
InChI:
InChI=1S/C14H12N2O2S/c1-9-12(19-8-15-9)6-7-16-11-5-3-2-4-10(11)13(17)14(16)18/h2-5,8H,6-7H2,1H3
InChI Key:
LQAPQYAWYVZSPK-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2c(N1CCc1scnc1C)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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