Basic information
- CAS
1053-74-3- Standard SMILES
CC(=O)c1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2- InChIKey
WKCTYFQBCFYMAR-UHFFFAOYSA-N- Molecular formula
- C22H27N3OS
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.18748348
Names & identifiers
- Preferred name
- 1-(10-(3-(4-Methyl-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)ethanone
- IUPAC
- 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanone
- English name
- 2-Acetyl-10-[3-(4-methylpiperazino)propyl]-10H-phenothiazine
- Molecular weight
- 0
Names & synonyms
1053-74-3KETONE, METHYL 10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZIN-2-YLDTXSID40147064RefChem:1053777DTXCID40695551-(10-(3-(4-Methyl-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)ethanone3-Acetyl-10-(3'N-methyl-piperazino-N'-propyl)phenothiazinBRN 07669141-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanoneMethyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl ketoneSCHEMBL1416012-Acetyl-10-[3-(4-methylpiperazino)propyl]-10H-phenothiazine
Show more names
1-[10-[3-(4-Methylpiperazino)propyl]-10H-phenothiazin-2-yl]ethanone
1-{10-[3-(4-METHYLPIPERAZIN-1-YL)PROPYL]-10H-PHENOTHIAZIN-2-YL}ETHAN-1-ONE1-(10-(3-(4-methylpiperazin-1-yl)propyl)-10h-phenothiazin-2-yl) ethanone
Database identifiers
- CAS
1053-74-3- PubChem CID
- 13983
- DTXSID
DTXSID40147064- Nikkaji
- J71.233G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Density
- 1.0881 · 1.0881 (rough estimate)
- refractive index
- 1.674 · 1.6740 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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