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27832-15-1 | 10H-Phenothiazine, 10-[3-(4-methyl-4-oxido-1-piperazinyl)propyl]-
CAS No: 27832-15-1 Catalog No: AG002UW8 MDL No:
Product Description
Catalog Number:
AG002UW8
Chemical Name:
10H-Phenothiazine, 10-[3-(4-methyl-4-oxido-1-piperazinyl)propyl]-
CAS Number:
27832-15-1
Molecular Formula:
C20H25N3OS
Molecular Weight:
355.4970
IUPAC Name:
10-[3-(4-methylpiperazin-1-yl)propyl]-10-oxidophenothiazin-10-ium
InChI:
InChI=1S/C20H25N3OS/c1-21-12-14-22(15-13-21)11-6-16-23(24)17-7-2-4-9-19(17)25-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChI Key:
LGJRXUIFGZTBGD-UHFFFAOYSA-N
SMILES:
[O-][N+]1(C)CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.172g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.5g/mol
Monoisotopic Mass:
355.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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