Basic information
- Standard SMILES
CN1CCN=C(C=Cc2ccc(Cl)c(Cl)c2)c2ccc(OC3CCCCO3)cc21- InChIKey
FWVMOKJNOQSETP-UHFFFAOYSA-N- Molecular formula
- C23H24Cl2N2O2
- Average molar mass
- 431.4 g/mol
Names & identifiers
- Preferred name
- (E)-5-(3,4-dichlorostyryl)-2,3-dihydro-8-(tetrahydro-2(RS)-pyranyloxy)-1-methyl-1H-1,4-benzodiazepine
- IUPAC
- 5-[2-(3,4-dichlorophenyl)ethenyl]-1-methyl-8-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodiazepine
Names & synonyms
SCHEMBL6779308FWVMOKJNOQSETP-UHFFFAOYSA-N(E)-5-(3,4-dichlorostyryl)-2,3-dihydro-8-(tetrahydro-2(RS)-pyranyloxy)-1-methyl-1H-1,4-benzodiazepine
Database identifiers
- PubChem CID
- 69893446
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 599
Related reactions
1 records
Compound notes
Loading…