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330998-71-5 | 3-(5,5-DIMETHYL-5,6-DIHYDRO[1,2,4]TRIAZOLO[3,4-A]ISOQUINOLIN-3-YL)PHENOL
CAS No: 330998-71-5 Catalog No: AG007HB8 MDL No:MFCD00608468
Product Description
Catalog Number:
AG007HB8
Chemical Name:
3-(5,5-DIMETHYL-5,6-DIHYDRO[1,2,4]TRIAZOLO[3,4-A]ISOQUINOLIN-3-YL)PHENOL
CAS Number:
330998-71-5
Molecular Formula:
C18H17N3O
Molecular Weight:
291.3471
MDL Number:
MFCD00608468
IUPAC Name:
3-(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol
InChI:
InChI=1S/C18H17N3O/c1-18(2)11-13-6-3-4-9-15(13)17-20-19-16(21(17)18)12-7-5-8-14(22)10-12/h3-10,22H,11H2,1-2H3
InChI Key:
OUNBBIYHRZELDA-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1nnc2n1C(C)(C)Cc1c2cccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.354g/mol
Monoisotopic Mass:
291.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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