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Home > Indoles and Oxindole > 195253-47-5
195253-47-5 | 1H-Indole, 1-(phenylmethyl)-3-(4H-1,2,4-triazol-4-ylmethyl)-
CAS No: 195253-47-5 Catalog No: AG007RCW MDL No:
Product Description
Catalog Number:
AG007RCW
Chemical Name:
1H-Indole, 1-(phenylmethyl)-3-(4H-1,2,4-triazol-4-ylmethyl)-
CAS Number:
195253-47-5
Molecular Formula:
C18H16N4
Molecular Weight:
288.3464
IUPAC Name:
1-benzyl-3-(1,2,4-triazol-4-ylmethyl)indole
InChI:
InChI=1S/C18H16N4/c1-2-6-15(7-3-1)10-22-12-16(11-21-13-19-20-14-21)17-8-4-5-9-18(17)22/h1-9,12-14H,10-11H2
InChI Key:
UEVBZEIJIFOQJU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cc(c2c1cccc2)Cn1cnnc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.354g/mol
Monoisotopic Mass:
288.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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