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139059-00-0 | 4-Oxazolecarboxylic acid, 4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-, ethyl ester, (4R,5R)-
CAS No: 139059-00-0 Catalog No: AG001A3A MDL No:
Product Description
Catalog Number:
AG001A3A
Chemical Name:
4-Oxazolecarboxylic acid, 4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-, ethyl ester, (4R,5R)-
CAS Number:
139059-00-0
Molecular Formula:
C19H19NO5S
Molecular Weight:
373.4229
IUPAC Name:
ethyl (4R,5R)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C19H19NO5S/c1-3-24-19(21)16-17(13-9-11-15(12-10-13)26(2,22)23)25-18(20-16)14-7-5-4-6-8-14/h4-12,16-17H,3H2,1-2H3/t16-,17-/m1/s1
InChI Key:
HGWMUZLWLRDZKY-IAGOWNOFSA-N
SMILES:
CCOC(=O)[C@@H]1N=C(O[C@@H]1c1ccc(cc1)S(=O)(=O)C)c1ccccc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
373.098g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.423g/mol
Monoisotopic Mass:
373.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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