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20627-44-5 | 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide
CAS No: 20627-44-5 Catalog No: AG002IF1 MDL No:
Product Description
Catalog Number:
AG002IF1
Chemical Name:
10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-, 5-oxide
CAS Number:
20627-44-5
Molecular Formula:
C20H25N3OS
Molecular Weight:
355.4970
IUPAC Name:
10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide
InChI:
InChI=1S/C20H25N3OS/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)25(24)20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
InChI Key:
QGGFCTLXKUUQAT-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCN1c2ccccc2S(=O)c2c1cccc2
Properties
Complexity:
440
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:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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