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151449-93-3 | Pyrazolo[1,5-a]pyrimidine, 6,7-dihydro-2-methyl-5,7-diphenyl-
CAS No: 151449-93-3 Catalog No: AG001NCN MDL No:
Product Description
Catalog Number:
AG001NCN
Chemical Name:
Pyrazolo[1,5-a]pyrimidine, 6,7-dihydro-2-methyl-5,7-diphenyl-
CAS Number:
151449-93-3
Molecular Formula:
C19H17N3
Molecular Weight:
287.3584
IUPAC Name:
2-methyl-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C19H17N3/c1-14-12-19-20-17(15-8-4-2-5-9-15)13-18(22(19)21-14)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3
InChI Key:
ZRFVJKCQVARKAB-UHFFFAOYSA-N
SMILES:
Cc1cc2n(n1)C(CC(=N2)c1ccccc1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.366g/mol
Monoisotopic Mass:
287.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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