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147567-56-4 | 1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-
CAS No: 147567-56-4 Catalog No: AG007K4X MDL No:
Product Description
Catalog Number:
AG007K4X
Chemical Name:
1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-
CAS Number:
147567-56-4
Molecular Formula:
C18H17N3
Molecular Weight:
275.3477
IUPAC Name:
5,5-dimethyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
InChI:
InChI=1S/C18H17N3/c1-18(2)12-14-10-6-7-11-15(14)17-20-19-16(21(17)18)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChI Key:
CSCOJYVCYSWDLT-UHFFFAOYSA-N
SMILES:
CC1(C)Cc2ccccc2c2n1c(nn2)c1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.355g/mol
Monoisotopic Mass:
275.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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