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101587-85-3 | Ethanone, 1-(4,5,6,7-tetrahydro-6-hydroxy-3,6-dimethyl-4-phenyl-2H-indazol-5-yl)-
CAS No: 101587-85-3 Catalog No: AG0004XE MDL No:
Product Description
Catalog Number:
AG0004XE
Chemical Name:
Ethanone, 1-(4,5,6,7-tetrahydro-6-hydroxy-3,6-dimethyl-4-phenyl-2H-indazol-5-yl)-
CAS Number:
101587-85-3
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
IUPAC Name:
1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone
InChI:
InChI=1S/C17H20N2O2/c1-10-14-13(19-18-10)9-17(3,21)16(11(2)20)15(14)12-7-5-4-6-8-12/h4-8,15-16,21H,9H2,1-3H3,(H,18,19)
InChI Key:
XNIRGPLNIOMGAR-UHFFFAOYSA-N
SMILES:
CC(=O)C1C(c2ccccc2)c2c(C)[nH]nc2CC1(C)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.359g/mol
Monoisotopic Mass:
284.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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