Basic information
- CAS
4377-17-7- Standard SMILES
CCN(CC)CCSCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
KTRDLXFZRLYIED-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2OS2
- Average molar mass
- 407 g/mol
- Monoisotopic mass
- 406.0940334
Names & identifiers
- Preferred name
- V4QK5S9Bqg
- IUPAC
- 1-(2-chlorophenothiazin-10-yl)-2-[2-(diethylamino)ethylsulfanyl]ethanone
Names & synonyms
V4QK5S9BQGPhenothiazine, 2-chloro-10-[[[2-(diethylamino)ethyl]thio]acetyl]-1-(2-Chloro-10H-phenothiazin-10-yl)-2-[[2-(diethylamino)ethyl]thio]ethanoneEthanone, 1-(2-chloro-10H-phenothiazin-10-yl)-2-[[2-(diethylamino)ethyl]thio]-4377-17-7
Database identifiers
- CAS
4377-17-7- PubChem CID
- 199538
- UNII
- V4QK5S9BQG
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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