Basic information
- CAS
62822-49-5- Standard SMILES
CC(=O)c1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2- InChIKey
DLWJNKDDRZZCDO-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.17149925
Names & identifiers
- Preferred name
- Ketone, 10-(3-(4-hydroxypiperidino)propyl)phenothiazin-2-yl methyl
- IUPAC
- 1-[10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazin-2-yl]ethanone
Names & synonyms
BRN 0849831KETONE, 10-(3-(4-HYDROXYPIPERIDINO)PROPYL)PHENOTHIAZIN-2-YL METHYL62822-49-54-Piperidinol, 1-(3-(2-acetylphenothiazin-10-yl)propyl)-DTXSID6021193310-(3-(4-Hydroxypiperidino)propyl)phenothiazin-2-yl methyl ketoneEthanone, 1-(10-(3-(4-hydroxy-1-piperidinyl)propyl)-10H-phenothiazin-2-yl)-RefChem:350391DTXCID901344241-{10-[3-(4-hydroxypiperidin-1-yl)propyl]-10H-phenothiazin-2-yl}ethan-1-one
Database identifiers
- CAS
62822-49-5- PubChem CID
- 44165
- DTXSID
DTXSID60211933- Nikkaji
- J71.227B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…