10-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile
Basic information
- Standard SMILES
N#Cc1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2- InChIKey
ZPXUAIPWHIGGTI-UHFFFAOYSA-N- Molecular formula
- C22H26N4OS
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.18273264
Names & identifiers
- Preferred name
- 10-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile
- IUPAC
- 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine-2-carbonitrile
Names & synonyms
CHEMBL612039SCHEMBL1835457
Database identifiers
- PubChem CID
- 210858
- ChEMBL
CHEMBL612039
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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