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58012-00-3 | 10-[3-[4-[(2,3-Dihydro-2-oxo-1H-benzimidazol)-1-yl]piperidino]propyl]-10H-phenothiazine
CAS No: 58012-00-3 Catalog No: AG00EU83 MDL No:
Product Description
Catalog Number:
AG00EU83
Chemical Name:
10-[3-[4-[(2,3-Dihydro-2-oxo-1H-benzimidazol)-1-yl]piperidino]propyl]-10H-phenothiazine
CAS Number:
58012-00-3
IUPAC Name:
3-[1-(3-phenothiazin-10-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
InChI:
InChI=1S/C27H28N4OS/c32-27-28-21-8-1-2-9-22(21)31(27)20-14-18-29(19-15-20)16-7-17-30-23-10-3-5-12-25(23)33-26-13-6-4-11-24(26)30/h1-6,8-13,20H,7,14-19H2,(H,28,32)
InChI Key:
DZIWLXOXKADHRE-UHFFFAOYSA-N
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.198g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
456.608g/mol
Monoisotopic Mass:
456.198g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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