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820964-15-6 | 1H-Imidazo[1,5-a]indol-1-one, 2,3-dihydro-2-(phenylmethyl)-3-thioxo-
CAS No: 820964-15-6 Catalog No: AG008K1F MDL No:
Product Description
Catalog Number:
AG008K1F
Chemical Name:
1H-Imidazo[1,5-a]indol-1-one, 2,3-dihydro-2-(phenylmethyl)-3-thioxo-
CAS Number:
820964-15-6
Molecular Formula:
C17H12N2OS
Molecular Weight:
292.3550
IUPAC Name:
2-benzyl-1-sulfanylideneimidazo[1,5-a]indol-3-one
InChI:
InChI=1S/C17H12N2OS/c20-16-15-10-13-8-4-5-9-14(13)19(15)17(21)18(16)11-12-6-2-1-3-7-12/h1-10H,11H2
InChI Key:
PLGWMSQUAYQLAR-UHFFFAOYSA-N
SMILES:
S=c1n2c(c(=O)n1Cc1ccccc1)cc1c2cccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.356g/mol
Monoisotopic Mass:
292.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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