Acetic acid, (thymyloxy)-, 2-(4-propyl-1-piperazinyl)ethyl ester, dihydrochloride
Basic information
- CAS
32305-41-2- Standard SMILES
CCCN1CCN(CCOC(=O)COc2cc(C)ccc2C(C)C)CC1.Cl.Cl- InChIKey
WKLXEMWWSHQRDY-UHFFFAOYSA-N- Molecular formula
- C21H36Cl2N2O3
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 434.2102984
Names & identifiers
- Preferred name
- Acetic acid, (thymyloxy)-, 2-(4-propyl-1-piperazinyl)ethyl ester, dihydrochloride
- IUPAC
- 2-(4-propylpiperazin-1-yl)ethyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate;dihydrochloride
Names & synonyms
T 2437Acetic acid, (thymyloxy)-, 2-(4-propyl-1-piperazinyl)ethyl ester, dihydrochloride32305-41-2RefChem:316358DTXSID109541062-(4-Propylpiperazin-1-yl)ethyl [5-methyl-2-(propan-2-yl)phenoxy]acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
32305-41-2- PubChem CID
- 208494
- DTXSID
DTXSID10954106
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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