Basic information
- CAS
6608-80-6- Standard SMILES
CN(C)CCOCCS(=O)(=O)c1ccc(N2CCC=N2)cc1-c1ccc(Cl)cc1- InChIKey
YXWITWSXVDBYQY-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O3S
- Average molar mass
- 436 g/mol
- Monoisotopic mass
- 435.1383406
Names & identifiers
- Preferred name
- 2-[2-[2-(4-chlorophenyl)-4-(3,4-dihydropyrazol-2-yl)phenyl]sulfonylethoxy]-N,N-dimethylethanamine
- IUPAC
- 2-[2-[2-(4-chlorophenyl)-4-(3,4-dihydropyrazol-2-yl)phenyl]sulfonylethoxy]-N,N-dimethylethanamine
Names & synonyms
EINECS 229-556-42-[2-[2-(4-chlorophenyl)-4-(3,4-dihydropyrazol-2-yl)phenyl]sulfonylethoxy]-N,N-dimethylethanamineDTXSID00984573YXWITWSXVDBYQY-UHFFFAOYSA-N2-(2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethoxy)ethyl(dimethyl)amine2-{2-[4'-Chloro-5-(4,5-dihydro-1H-pyrazol-1-yl)[1,1'-biphenyl]-2-sulfonyl]ethoxy}-N,N-dimethylethan-1-amine
Database identifiers
- CAS
6608-80-6- PubChem CID
- 81085
- DTXSID
DTXSID00984573
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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