Basic information
- CAS
14653-24-8- Standard SMILES
Br.CCOC(=O)C1(c2ccccc2)CCC(CCCN2c3ccccc3Sc3ccccc32)CC1- InChIKey
SIZMTGJUHFISBY-UHFFFAOYSA-N- Molecular formula
- C30H34BrNO2S
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 551.14936
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(3-phenothiazin-10-ylpropyl)-4-phenyl-, ethyl ester, hydrobromide
- IUPAC
- ethyl 4-(3-phenothiazin-10-ylpropyl)-1-phenylcyclohexane-1-carboxylate;hydrobromide
Names & synonyms
Isonipecotic acid, 1-(3-phenothiazin-10-ylpropyl)-4-phenyl-, ethyl ester, hydrobromide14653-24-81-(3-Phenothiazin-10-ylpropyl)-4-phenylisonipecotic acid ethyl ester hydrobromideDTXSID50163391RefChem:349733DTXCID4085882Ethyl 4-[3-(10H-phenothiazin-10-yl)propyl]-1-phenylcyclohexane-1-carboxylate--hydrogen bromide (1/1)
Database identifiers
- CAS
14653-24-8- PubChem CID
- 26802
- DTXSID
DTXSID50163391
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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