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Home > Indoles and Oxindole > 318295-30-6
318295-30-6 | 1H-Indole-3-carbonitrile, 7-(phenylmethoxy)-
CAS No: 318295-30-6 Catalog No: AG00I618 MDL No:
Product Description
Catalog Number:
AG00I618
Chemical Name:
1H-Indole-3-carbonitrile, 7-(phenylmethoxy)-
CAS Number:
318295-30-6
IUPAC Name:
7-phenylmethoxy-1H-indole-3-carbonitrile
InChI:
InChI=1S/C16H12N2O/c17-9-13-10-18-16-14(13)7-4-8-15(16)19-11-12-5-2-1-3-6-12/h1-8,10,18H,11H2
InChI Key:
WAOJSSDVYZDEFM-UHFFFAOYSA-N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. | Bioorganic & medicinal chemistry letters 20060501 |
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