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Home > Indoles and Oxindole > 912999-04-3
912999-04-3 | 2-(4-hydroxy-3-isopropylbenzoyl)-2,3-dihydro-1H-isoindole
CAS No: 912999-04-3 Catalog No: AG00H4T4 MDL No:
Product Description
Catalog Number:
AG00H4T4
Chemical Name:
2-(4-hydroxy-3-isopropylbenzoyl)-2,3-dihydro-1H-isoindole
CAS Number:
912999-04-3
IUPAC Name:
1,3-dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
InChI:
InChI=1S/C18H19NO2/c1-12(2)16-9-13(7-8-17(16)20)18(21)19-10-14-5-3-4-6-15(14)11-19/h3-9,12,20H,10-11H2,1-2H3
InChI Key:
MEPNUQXOYQXDBH-UHFFFAOYSA-N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency. | Journal of medicinal chemistry 20100826 |
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