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145317-83-5 | 5-Oxazolamine, 2-phenyl-N-(phenylmethyl)-4-(phenylsulfonyl)-
CAS No: 145317-83-5 Catalog No: AG001KT1 MDL No:
Product Description
Catalog Number:
AG001KT1
Chemical Name:
5-Oxazolamine, 2-phenyl-N-(phenylmethyl)-4-(phenylsulfonyl)-
CAS Number:
145317-83-5
Molecular Formula:
C22H18N2O3S
Molecular Weight:
390.4549
IUPAC Name:
4-(benzenesulfonyl)-N-benzyl-2-phenyl-1,3-oxazol-5-amine
InChI:
InChI=1S/C22H18N2O3S/c25-28(26,19-14-8-3-9-15-19)22-21(23-16-17-10-4-1-5-11-17)27-20(24-22)18-12-6-2-7-13-18/h1-15,23H,16H2
InChI Key:
PEUPPUMBLKHHFX-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc(oc1NCc1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.104g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.457g/mol
Monoisotopic Mass:
390.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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