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144827-80-5 | 1-Azabicyclo[2.2.2]octan-3-ol, 3-(10H-phenothiazin-10-ylmethyl)-
CAS No: 144827-80-5 Catalog No: AG001K7R MDL No:
Product Description
Catalog Number:
AG001K7R
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-ol, 3-(10H-phenothiazin-10-ylmethyl)-
CAS Number:
144827-80-5
Molecular Formula:
C20H22N2OS
Molecular Weight:
338.4665
IUPAC Name:
3-(phenothiazin-10-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C20H22N2OS/c23-20(13-21-11-9-15(20)10-12-21)14-22-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22/h1-8,15,23H,9-14H2
InChI Key:
PNBTYAVTIJXSSH-UHFFFAOYSA-N
SMILES:
OC1(CN2CCC1CC2)CN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.469g/mol
Monoisotopic Mass:
338.145g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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