3-(8-chloro-7H-benzo[c]phenothiazin-7-yl)-N,N-dimethyl-1-propanamine
Basic information
- CAS
5459-31-4- Standard SMILES
CN(C)CCCN1c2ccc3ccccc3c2Sc2cccc(Cl)c21- InChIKey
YQQOWRFAYJNTDF-UHFFFAOYSA-N- Molecular formula
- C21H21ClN2S
- Average molar mass
- 368.9 g/mol
- Monoisotopic mass
- 368.1113975
Names & identifiers
- Preferred name
- 3-(8-chloro-7H-benzo[c]phenothiazin-7-yl)-N,N-dimethyl-1-propanamine
- IUPAC
- 3-(8-chlorobenzo[c]phenothiazin-7-yl)-N,N-dimethylpropan-1-amine
Names & synonyms
NSC24113MLS0027028285459-31-4NSC-241133-(8-chloro-7H-benzo[c]phenothiazin-7-yl)-N,N-dimethyl-1-propanamineNCIMech_000745NCIStruc1_001251NCIStruc2_001032CHEMBL1600497DTXSID10282077NCI24113CCG-36003
Show more names
CCG-37159NCGC00013308NCGC00013308-02NCGC00096425-01NCI60_001935PD011361SMR0015666553-(8-chlorobenzo[c]phenothiazin-7-yl)-N,N-dimethyl-propan-1-amine
Database identifiers
- CAS
5459-31-4- PubChem CID
- 229969
- DTXSID
DTXSID10282077- ChEMBL
CHEMBL1600497
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 446
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Related reactions
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Compound notes
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