3-(Azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol--hydrogen bromide (1/1)
Basic information
- CAS
17532-01-3- Standard SMILES
Br.CC(CN1CCCCCC1)C(O)(c1ccsc1)c1ccsc1- InChIKey
TYXNHZPVZIVNGZ-UHFFFAOYSA-N- Molecular formula
- C18H26BrNOS2
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 415.06392
Names & identifiers
- Preferred name
- 3-(Azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol--hydrogen bromide (1/1)
- IUPAC
- 3-(azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol;hydrobromide
Names & synonyms
17532-01-3DTXSID809386503-(Azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol--hydrogen bromide (1/1)RefChem:1066979DTXCID1013671731,1-Dithien-3-yl-3-(hexahydro-1-azepinyl)-2-methyl-1-propanol hydrobromide1-Propanol, 1,1-(dithien-3-yl)-3-(hexahydro-1-azepinyl)-2-methyl-, hydrobromide
Database identifiers
- CAS
17532-01-3- PubChem CID
- 205172
- DTXSID
DTXSID80938650
Properties
Computed structural properties
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 328
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Related reactions
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Compound notes
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