1-(10H-Phenothiazin-1-YL)-2-(pyrrolidin-1-YL)ethane-1,2-dione
Basic information
- CAS
64028-19-9- Standard SMILES
O=C(C(=O)N1CCCC1)c1cccc2c1Nc1ccccc1S2- InChIKey
ZFAFORMXELZMFU-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09324893
Names & identifiers
- Preferred name
- 1-(10H-Phenothiazin-1-YL)-2-(pyrrolidin-1-YL)ethane-1,2-dione
- IUPAC
- 1-(10H-phenothiazin-1-yl)-2-pyrrolidin-1-ylethane-1,2-dione
Names & synonyms
64028-19-9DTXSID004946421-(10H-PHENOTHIAZIN-1-YL)-2-(PYRROLIDIN-1-YL)ETHANE-1,2-DIONE
Database identifiers
- CAS
64028-19-9- PubChem CID
- 12367809
- DTXSID
DTXSID00494642
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 478
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Compound notes
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