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90329-09-2 | Isoxazole, 4,5-dihydro-4-methyl-3-phenyl-5-(phenylthio)-, cis-
CAS No: 90329-09-2 Catalog No: AG006FFM MDL No:
Product Description
Catalog Number:
AG006FFM
Chemical Name:
Isoxazole, 4,5-dihydro-4-methyl-3-phenyl-5-(phenylthio)-, cis-
CAS Number:
90329-09-2
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
(4R,5R)-4-methyl-3-phenyl-5-phenylsulfanyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C16H15NOS/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)19-14-10-6-3-7-11-14/h2-12,16H,1H3/t12-,16-/m1/s1
InChI Key:
NWTUDTPSLCFVEX-MLGOLLRUSA-N
SMILES:
C[C@H]1[C@H](ON=C1c1ccccc1)Sc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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