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Home > Indoles and Oxindole > 141101-93-1
141101-93-1 | 1H-Indole, 5-(phenylmethoxy)-1-(4-pyridinylmethyl)-
CAS No: 141101-93-1 Catalog No: AG001FWP MDL No:
Product Description
Catalog Number:
AG001FWP
Chemical Name:
1H-Indole, 5-(phenylmethoxy)-1-(4-pyridinylmethyl)-
CAS Number:
141101-93-1
Molecular Formula:
C21H18N2O
Molecular Weight:
314.3804
IUPAC Name:
5-phenylmethoxy-1-(pyridin-4-ylmethyl)indole
InChI:
InChI=1S/C21H18N2O/c1-2-4-18(5-3-1)16-24-20-6-7-21-19(14-20)10-13-23(21)15-17-8-11-22-12-9-17/h1-14H,15-16H2
InChI Key:
SMUOMHZNGDJUDJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc2c(c1)ccn2Cc1ccncc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
314.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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