Basic information
- CAS
31817-29-5- Standard SMILES
COC1CCN(CCCN2c3ccccc3Sc3ccc(C(C)=O)cc32)CC1- InChIKey
JCDADBBKUHSPFI-UHFFFAOYSA-N- Molecular formula
- C23H28N2O2S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.18714931
Names & identifiers
- Preferred name
- Ketone, 10-(3-(4-methoxypiperidino)propyl)phenothiazin-2-yl methyl
- IUPAC
- 1-[10-[3-(4-methoxypiperidin-1-yl)propyl]phenothiazin-2-yl]ethanone
Names & synonyms
BRN 0851436KETONE, 10-(3-(4-METHOXYPIPERIDINO)PROPYL)PHENOTHIAZIN-2-YL METHYL31817-29-5DTXSID2018568610-(3-(4-Methoxypiperidino)propyl)phenothiazin-2-yl methyl ketoneEthanone, 1-(10-(3-(4-methoxy-1-piperidinyl)propyl)-10H-phenothiazin-2-yl)-RefChem:350393DTXCID601081771-{10-[3-(4-METHOXYPIPERIDIN-1-YL)PROPYL]-10H-PHENOTHIAZIN-2-YL}ETHAN-1-ONE
Database identifiers
- CAS
31817-29-5- PubChem CID
- 35940
- DTXSID
DTXSID20185686- Nikkaji
- J71.231K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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