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127848-69-5 | 1-Propanone, 1-[2-[3-[(1,1-dimethylpropyl)amino]-2-hydroxypropoxy]-5-hydroxyphenyl]-3-phenyl-
CAS No: 127848-69-5 Catalog No: AG000XH3 MDL No:
Product Description
Catalog Number:
AG000XH3
Chemical Name:
1-Propanone, 1-[2-[3-[(1,1-dimethylpropyl)amino]-2-hydroxypropoxy]-5-hydroxyphenyl]-3-phenyl-
CAS Number:
127848-69-5
Molecular Formula:
C23H31NO4
Molecular Weight:
385.4965
IUPAC Name:
1-[5-hydroxy-2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-phenylpropan-1-one
InChI:
InChI=1S/C23H31NO4/c1-4-23(2,3)24-15-19(26)16-28-22-13-11-18(25)14-20(22)21(27)12-10-17-8-6-5-7-9-17/h5-9,11,13-14,19,24-26H,4,10,12,15-16H2,1-3H3
InChI Key:
XKLKBMNSXDQEBY-UHFFFAOYSA-N
SMILES:
CCC(NCC(COc1ccc(cc1C(=O)CCc1ccccc1)O)O)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.225g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
385.504g/mol
Monoisotopic Mass:
385.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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