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85355-67-5 | Isoxazole, 4,5-dihydro-4,5-diphenyl-3-(phenylsulfonyl)-, cis-
CAS No: 85355-67-5 Catalog No: AG004L73 MDL No:
Product Description
Catalog Number:
AG004L73
Chemical Name:
Isoxazole, 4,5-dihydro-4,5-diphenyl-3-(phenylsulfonyl)-, cis-
CAS Number:
85355-67-5
Molecular Formula:
C21H17NO3S
Molecular Weight:
363.4296
IUPAC Name:
(4S,5S)-3-(benzenesulfonyl)-4,5-diphenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C21H17NO3S/c23-26(24,18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)20(25-22-21)17-12-6-2-7-13-17/h1-15,19-20H/t19-,20+/m0/s1
InChI Key:
NFWNWVCHTMCZAF-VQTJNVASSA-N
SMILES:
O=S(=O)(C1=NO[C@@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
363.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.431g/mol
Monoisotopic Mass:
363.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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