Basic information
- CAS
2752-11-6- Standard SMILES
COc1ccc2c(c1)N(CCCN(C)C)c1cc(Cl)ccc1S2- InChIKey
PHFGHPHFFRTZMF-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2OS
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1063122
Names & identifiers
- Preferred name
- 2-Chloro-7-methoxy-10-(3-(dimethylamino)propyl)phenothiazine
- IUPAC
- 3-(2-chloro-8-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Names & synonyms
BRN 1087807UNII-5PF9UV6E3U3-(2-chloro-8-methoxy-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amineDTXSID609501982-Chloro-7-methoxy-10-(3-(dimethylamino)propyl)phenothiazine2-Chloro-7-methoxy-N,N-dimethyl-10H-phenothiazine-10-propan-1-amine
Database identifiers
- CAS
2752-11-6- PubChem CID
- 75981
- DTXSID
DTXSID60950198
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 41 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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