3,9-Dichloro-1-(beta-chloroethyl)-6-(2-furyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine
Basic information
- Standard SMILES
ClCCN1CC(Cl)CN=C(c2ccco2)c2ccc(Cl)cc21- InChIKey
VSEDXFIOAWUSIB-UHFFFAOYSA-N- Molecular formula
- C16H15Cl3N2O
- Average molar mass
- 357.7 g/mol
- Monoisotopic mass
- 356.024996
Names & identifiers
- Preferred name
- 3,9-Dichloro-1-(beta-chloroethyl)-6-(2-furyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine
- IUPAC
- 3,9-dichloro-1-(2-chloroethyl)-6-(furan-2-yl)-3,4-dihydro-2H-1,5-benzodiazocine
Names & synonyms
SCHEMBL10862943SCHEMBL10862956VSEDXFIOAWUSIB-UHFFFAOYSA-N3,9-dichloro-1-(beta-chloroethyl)-6-(2-furyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine
Database identifiers
- PubChem CID
- 23318330
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
Loading…