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31863-89-5 | 10H-Phenothiazine,10-[1-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-
CAS No: 31863-89-5 Catalog No: AG007I6B MDL No:
Product Description
Catalog Number:
AG007I6B
Chemical Name:
10H-Phenothiazine,10-[1-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-
CAS Number:
31863-89-5
Molecular Formula:
C21H26N2OS2
Molecular Weight:
386.5739
IUPAC Name:
10-[1-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
InChI:
InChI=1S/C21H26N2OS2/c1-15(17-8-6-7-13-22(17)2)23-18-9-4-5-10-20(18)25-21-12-11-16(26(3)24)14-19(21)23/h4-5,9-12,14-15,17H,6-8,13H2,1-3H3
InChI Key:
NYORAHLATXIAGT-UHFFFAOYSA-N
SMILES:
CN1CCCCC1C(N1c2ccccc2Sc2c1cc(cc2)S(=O)C)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.572g/mol
Monoisotopic Mass:
386.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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