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88351-81-9 | 1H-Indole, 2-methyl-3-(1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-ylmethyl)-
CAS No: 88351-81-9 Catalog No: AG0045DR MDL No:
Product Description
Catalog Number:
AG0045DR
Chemical Name:
1H-Indole, 2-methyl-3-(1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-ylmethyl)-
CAS Number:
88351-81-9
Molecular Formula:
C13H11N5S
Molecular Weight:
269.3249
IUPAC Name:
3-[(2-methyl-1H-indol-3-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChI:
InChI=1S/C13H11N5S/c1-8-10(9-4-2-3-5-11(9)15-8)6-12-16-17-13-18(12)14-7-19-13/h2-5,7,15H,6H2,1H3
InChI Key:
DIFRYAOTHMSLPX-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1Cc1nnc3n1ncs3)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.326g/mol
Monoisotopic Mass:
269.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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