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182960-63-0 | 10H-Phenothiazine, 3-[(1-azabicyclo[2.2.2]oct-3-yloxy)methyl]-10-butyl-
CAS No: 182960-63-0 Catalog No: AG0024AM MDL No:
Product Description
Catalog Number:
AG0024AM
Chemical Name:
10H-Phenothiazine, 3-[(1-azabicyclo[2.2.2]oct-3-yloxy)methyl]-10-butyl-
CAS Number:
182960-63-0
Molecular Formula:
C24H30N2OS
Molecular Weight:
394.5728
IUPAC Name:
3-(1-azabicyclo[2.2.2]octan-3-yloxymethyl)-10-butylphenothiazine
InChI:
InChI=1S/C24H30N2OS/c1-2-3-12-26-20-6-4-5-7-23(20)28-24-15-18(8-9-21(24)26)17-27-22-16-25-13-10-19(22)11-14-25/h4-9,15,19,22H,2-3,10-14,16-17H2,1H3
InChI Key:
DGMZDIJKJVRVCG-UHFFFAOYSA-N
SMILES:
CCCCN1c2ccc(cc2Sc2c1cccc2)COC1CN2CCC1CC2
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.208g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.577g/mol
Monoisotopic Mass:
394.208g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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