Basic information
- CAS
776287-56-0- Standard SMILES
Cc1ccc(S(=O)(=O)N(CCN2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCCO3)cc1- InChIKey
HBPKJJKKNJNCII-UHFFFAOYSA-N- Molecular formula
- C27H31N3O4S
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.20352765
Names & identifiers
- Preferred name
- N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenyl-1-piperazinyl)ethyl]benzenesulfonamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
Names & synonyms
Oprea1_829882DTXSID101114588776287-56-0N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenyl-1-piperazinyl)ethyl]benzenesulfonamideN-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzene-1-sulfonamide
Database identifiers
- CAS
776287-56-0- PubChem CID
- 5239239
- DTXSID
DTXSID101114588
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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