2-(Azepan-1-yl)ethyl cyclohexyl(thiophen-2-yl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
16199-90-9- Standard SMILES
Cl.O=C(OCCN1CCCCCC1)C(c1cccs1)C1CCCCC1- InChIKey
GPVHNKKIONSRGW-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2S
- Average molar mass
- 386 g/mol
- Monoisotopic mass
- 385.1842281
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)ethyl cyclohexyl(thiophen-2-yl)acetate--hydrogen chloride (1/1)
- IUPAC
- 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-thiophen-2-ylacetate;hydrochloride
Names & synonyms
DTXSID90936622NS000535142-(Azepan-1-yl)ethyl cyclohexyl(thiophen-2-yl)acetate--hydrogen chloride (1/1)3-Thiopheneacetic acid, alpha-cyclohexyl-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
Database identifiers
- CAS
16199-90-9- PubChem CID
- 44150643
- DTXSID
DTXSID90936622
Properties
Computed structural properties
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
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Compound notes
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