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40765-35-3 | 10H-Phenothiazine, 10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-, 5,5-dioxide
CAS No: 40765-35-3 Catalog No: AG0075AK MDL No:
Product Description
Catalog Number:
AG0075AK
Chemical Name:
10H-Phenothiazine, 10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-, 5,5-dioxide
CAS Number:
40765-35-3
Molecular Formula:
C20H22N2O2S
Molecular Weight:
354.4659
IUPAC Name:
10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine 5,5-dioxide
InChI:
InChI=1S/C20H22N2O2S/c23-25(24)19-7-3-1-5-17(19)22(18-6-2-4-8-20(18)25)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
InChI Key:
XPKWOPYSZJPRLJ-UHFFFAOYSA-N
SMILES:
O=S1(=O)c2ccccc2N(c2c1cccc2)CC1CN2CCC1CC2
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.468g/mol
Monoisotopic Mass:
354.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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