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110436-24-3 | 10H-Phenothiazine,10-[2-(4-ethyl-1-piperazinyl)propyl]-
CAS No: 110436-24-3 Catalog No: AG007D7T MDL No:
Product Description
Catalog Number:
AG007D7T
Chemical Name:
10H-Phenothiazine,10-[2-(4-ethyl-1-piperazinyl)propyl]-
CAS Number:
110436-24-3
Molecular Formula:
C21H27N3S
Molecular Weight:
353.5242
IUPAC Name:
10-[2-(4-ethylpiperazin-1-yl)propyl]phenothiazine
InChI:
InChI=1S/C21H27N3S/c1-3-22-12-14-23(15-13-22)17(2)16-24-18-8-4-6-10-20(18)25-21-11-7-5-9-19(21)24/h4-11,17H,3,12-16H2,1-2H3
InChI Key:
NJMPBWJSNSMVTD-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)C(CN1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.193g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.528g/mol
Monoisotopic Mass:
353.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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