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123372-13-4 | Phenol, 2-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-, (S)- (9CI)
CAS No: 123372-13-4 Catalog No: AG000KHB MDL No:
Product Description
Catalog Number:
AG000KHB
Chemical Name:
Phenol, 2-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-, (S)- (9CI)
CAS Number:
123372-13-4
Molecular Formula:
C23H24N2O4
Molecular Weight:
392.4477
IUPAC Name:
2-[2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]phenol
InChI:
InChI=1S/C23H24N2O4/c26-16(14-24-12-13-28-21-10-4-3-9-20(21)27)15-29-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,24-27H,12-15H2/t16-/m0/s1
InChI Key:
XAUKPPPYYOKVQJ-INIZCTEOSA-N
SMILES:
O[C@H](COc1cccc2c1c1ccccc1[nH]2)CNCCOc1ccccc1O
UNII:
315AAB7J5Z
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
392.174g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
392.455g/mol
Monoisotopic Mass:
392.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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