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124392-75-2 | 2H-[1]Benzoxepino[5,4-c]pyrazole, 4,5-dihydro-9-methyl-3-(4-methylphenyl)-2-phenyl-
CAS No: 124392-75-2 Catalog No: AG000LXP MDL No:
Product Description
Catalog Number:
AG000LXP
Chemical Name:
2H-[1]Benzoxepino[5,4-c]pyrazole, 4,5-dihydro-9-methyl-3-(4-methylphenyl)-2-phenyl-
CAS Number:
124392-75-2
Molecular Formula:
C25H22N2O
Molecular Weight:
366.4550
IUPAC Name:
9-methyl-3-(4-methylphenyl)-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole
InChI:
InChI=1S/C25H22N2O/c1-17-8-11-19(12-9-17)25-21-14-15-28-23-13-10-18(2)16-22(23)24(21)26-27(25)20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3
InChI Key:
WFRNUOVWNCRHCA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1n(nc2c1CCOc1c2cc(C)cc1)c1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.173g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.464g/mol
Monoisotopic Mass:
366.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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