2-Propanol, 1-((5,6-dihydro-4H-cyclopenta(b)thien-3-yl)oxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-, hydrochloride
Basic information
- CAS
85462-93-7- Standard SMILES
COc1ccc(CCNCC(O)COc2csc3c2CCC3)cc1OC.Cl- InChIKey
OKBVMZRIHKHMGJ-UHFFFAOYSA-N- Molecular formula
- C20H28ClNO4S
- Average molar mass
- 414 g/mol
- Monoisotopic mass
- 413.1427572
Names & identifiers
- Preferred name
- 2-Propanol, 1-((5,6-dihydro-4H-cyclopenta(b)thien-3-yl)oxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-, hydrochloride
- IUPAC
- 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-yloxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol;hydrochloride
- English name
- 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(8-thiabicyclo[3.3.0]octa-6,9- dien-6-yloxy)propan-2-ol hydrochloride
- Molecular formula
- C20H28ClNO4S
- Molecular weight
- 413.95862
Names & synonyms
85462-93-72-Propanol, 1-((5,6-dihydro-4H-cyclopenta(b)thien-3-yl)oxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-, hydrochlorideRefChem:265651DTXSID2010060011-[(5,6-Dihydro-4H-cyclopenta[b]thiophen-3-yl)oxy]-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propan-2-ol--hydrogen chloride (1/1)1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(8-thiabicyclo[3.3.0]octa-6,9- dien-6-yloxy)propan-2-ol hydrochloride
Database identifiers
- CAS
85462-93-7- PubChem CID
- 3069909
- DTXSID
DTXSID201006001
Properties
Computed structural properties
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…