Basic information
- Standard SMILES
COc1ccc(CN2CC(=O)Nc3ccc(SC)cc3C2=O)c(OC)c1- InChIKey
FIFJQFDXXJYMLD-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4S
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- 4-(2,4-Dimethoxy-benzyl)-7-methylsulfanyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
- IUPAC
- 4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Names & synonyms
SCHEMBL6868074FIFJQFDXXJYMLD-UHFFFAOYSA-N4-(2,4-Dimethoxy-benzyl)-7-methylsulfanyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
Database identifiers
- PubChem CID
- 22713482
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
3 records
Compound notes
Loading…