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106939-06-4 | 10H-Phenothiazine,10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfonyl)-, 5-oxide
CAS No: 106939-06-4 Catalog No: AG007TQ1 MDL No:
Product Description
Catalog Number:
AG007TQ1
Chemical Name:
10H-Phenothiazine,10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfonyl)-, 5-oxide
CAS Number:
106939-06-4
Molecular Formula:
C21H26N2O3S2
Molecular Weight:
418.5727
IUPAC Name:
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfonylphenothiazine 5-oxide
InChI:
InChI=1S/C21H26N2O3S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)27(24)21-11-10-17(15-19(21)23)28(2,25)26/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChI Key:
XUSQFEHCLFPAQN-UHFFFAOYSA-N
SMILES:
CN1CCCCC1CCN1c2ccccc2S(=O)c2c1cc(cc2)S(=O)(=O)C
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.57g/mol
Monoisotopic Mass:
418.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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