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Home > Indoles and Oxindole > 866322-86-3
866322-86-3 | 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-phenoxy-2-(phenylmethyl)-
CAS No: 866322-86-3 Catalog No: AG004KZO MDL No:
Product Description
Catalog Number:
AG004KZO
Chemical Name:
1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-phenoxy-2-(phenylmethyl)-
CAS Number:
866322-86-3
Molecular Formula:
C24H22N2O
Molecular Weight:
354.4443
IUPAC Name:
2-benzyl-8-phenoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
InChI:
InChI=1S/C24H22N2O/c1-3-7-18(8-4-1)16-26-14-13-24-22(17-26)21-15-20(11-12-23(21)25-24)27-19-9-5-2-6-10-19/h1-12,15,25H,13-14,16-17H2
InChI Key:
BUBWCRATXPPFPJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCc2c(C1)c1cc(ccc1[nH]2)Oc1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.453g/mol
Monoisotopic Mass:
354.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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