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7399-73-7 | phenyl-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
CAS No: 7399-73-7 Catalog No: AG005IPY MDL No:MFCD00276238
Product Description
Catalog Number:
AG005IPY
Chemical Name:
phenyl-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
CAS Number:
7399-73-7
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
MDL Number:
MFCD00276238
IUPAC Name:
phenyl-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
InChI:
InChI=1S/C16H14N2O/c19-16(13-9-5-2-6-10-13)15-14(11-17-18-15)12-7-3-1-4-8-12/h1-10,14,17H,11H2
InChI Key:
WXQODNVDAFYTSK-UHFFFAOYSA-N
SMILES:
O=C(C1=NNCC1c1ccccc1)c1ccccc1
NSC Number:
54400
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
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 |
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