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10078-27-0 | 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide
CAS No: 10078-27-0 Catalog No: AG0002UK MDL No:
Product Description
Catalog Number:
AG0002UK
Chemical Name:
10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide
CAS Number:
10078-27-0
Molecular Formula:
C20H24ClN3OS
Molecular Weight:
389.9421
IUPAC Name:
(5S)-2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide
InChI:
InChI=1S/C20H24ClN3OS/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)26(25)20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3/t26-/m0/s1
InChI Key:
AZGYHFQQUZPAFZ-SANMLTNESA-N
SMILES:
CN1CCN(CC1)CCCN1c2ccccc2S(=O)c2c1cc(Cl)cc2
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
389.133g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.942g/mol
Monoisotopic Mass:
389.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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