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866251-63-0 | Morpholine, 4-[1-(4-methylphenyl)-2-phenyl-2-(phenylsulfonyl)ethyl]-
CAS No: 866251-63-0 Catalog No: AG004L04 MDL No:
Product Description
Catalog Number:
AG004L04
Chemical Name:
Morpholine, 4-[1-(4-methylphenyl)-2-phenyl-2-(phenylsulfonyl)ethyl]-
CAS Number:
866251-63-0
Molecular Formula:
C25H27NO3S
Molecular Weight:
421.5518
IUPAC Name:
4-[2-(benzenesulfonyl)-1-(4-methylphenyl)-2-phenylethyl]morpholine
InChI:
InChI=1S/C25H27NO3S/c1-20-12-14-21(15-13-20)24(26-16-18-29-19-17-26)25(22-8-4-2-5-9-22)30(27,28)23-10-6-3-7-11-23/h2-15,24-25H,16-19H2,1H3
InChI Key:
DEYNTQJFDJSUEX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(C(S(=O)(=O)c1ccccc1)c1ccccc1)N1CCOCC1
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.171g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.555g/mol
Monoisotopic Mass:
421.171g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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