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88598-74-7 | 10-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine
CAS No: 88598-74-7 Catalog No: AG01DJZB MDL No:MFCD16621053
Product Description
Catalog Number:
AG01DJZB
Chemical Name:
10-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine
CAS Number:
88598-74-7
Molecular Formula:
C20H22N2S
Molecular Weight:
322.4671
MDL Number:
MFCD16621053
IUPAC Name:
10-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine
InChI:
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1
InChI Key:
HOKDBMAJZXIPGC-INIZCTEOSA-N
SMILES:
c1ccc2c(c1)N(C[C@@H]1CN3CCC1CC3)c1c(S2)cccc1
UNII:
5G2MWA892Y
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
322.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.47g/mol
Monoisotopic Mass:
322.15g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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