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107081-84-5 | Isoxazole, 2,3-dihydro-5-methyl-2,3-diphenyl-4-(phenylsulfonyl)-
CAS No: 107081-84-5 Catalog No: AG0082Q5 MDL No:
Product Description
Catalog Number:
AG0082Q5
Chemical Name:
Isoxazole, 2,3-dihydro-5-methyl-2,3-diphenyl-4-(phenylsulfonyl)-
CAS Number:
107081-84-5
Molecular Formula:
C22H19NO3S
Molecular Weight:
377.4562
IUPAC Name:
4-(benzenesulfonyl)-5-methyl-2,3-diphenyl-3H-1,2-oxazole
InChI:
InChI=1S/C22H19NO3S/c1-17-22(27(24,25)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)23(26-17)19-13-7-3-8-14-19/h2-16,21H,1H3
InChI Key:
MEEMTRUMWSLODZ-UHFFFAOYSA-N
SMILES:
CC1=C(C(N(O1)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.109g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.458g/mol
Monoisotopic Mass:
377.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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