4-[5,7-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
Basic information
- CAS
5021-82-9- Standard SMILES
NCCCCc1c(-c2ccc3c(c2)OCCO3)[nH]c2c(Cl)cc(Cl)cc12- InChIKey
ZZXIFAPDMOENLF-UHFFFAOYSA-N- Molecular formula
- C20H20Cl2N2O2
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 390.0901833
Names & identifiers
- Preferred name
- 4-[5,7-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
- IUPAC
- 4-[5,7-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
Names & synonyms
5021-82-94-[5,7-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amineDTXSID30411625
Database identifiers
- CAS
5021-82-9- PubChem CID
- 5228527
- DTXSID
DTXSID30411625
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…