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14522-00-0 | 10H-Phenothiazin-3-ol, 8-chloro-10-[3-(dimethylamino)propyl]-, 5-oxide
CAS No: 14522-00-0 Catalog No: AG001KOE MDL No:
Product Description
Catalog Number:
AG001KOE
Chemical Name:
10H-Phenothiazin-3-ol, 8-chloro-10-[3-(dimethylamino)propyl]-, 5-oxide
CAS Number:
14522-00-0
Molecular Formula:
C17H19ClN2O2S
Molecular Weight:
350.8630
IUPAC Name:
8-chloro-10-[3-(dimethylamino)propyl]-5-oxophenothiazin-3-ol
InChI:
InChI=1S/C17H19ClN2O2S/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)23(22)16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
InChI Key:
AAJYBUQNKZIVRN-UHFFFAOYSA-N
SMILES:
CN(CCCN1c2cc(Cl)ccc2S(=O)c2c1ccc(c2)O)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.861g/mol
Monoisotopic Mass:
350.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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