Home Halogens 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol

2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol

CAS No.:
58-39-9
Catalog Number:
AG00E92G
Molecular Formula:
C21H26ClN3OS
Molecular Weight:
403.9686
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$157
- +
Product Description
Catalog Number:
AG00E92G
Chemical Name:
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol
CAS Number:
58-39-9
Molecular Formula:
C21H26ClN3OS
Molecular Weight:
403.9686
MDL Number:
MFCD00056798
IUPAC Name:
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
InChI:
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
InChI Key:
RGCVKNLCSQQDEP-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2
EC Number:
200-381-5
UNII:
FTA7XXY4EZ
Properties
Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.149g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
403.969g/mol
Monoisotopic Mass:
403.149g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
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