7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Basic information
- CAS
5647-75-6- Standard SMILES
CCC(=O)N1CC(=O)Nc2ccc(Br)cc2C1c1ccccc1- InChIKey
YJIXRILQTLZHSA-UHFFFAOYSA-N- Molecular formula
- C18H17BrN2O2
- Average molar mass
- 373.2 g/mol
- Monoisotopic mass
- 372.04734
Overview
a retrograde transport inhibitor that protects against ricin challenge; structure in first source
Names & identifiers
- Preferred name
- 7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-bromo-5-phenyl-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-oneRetro-1 compoundRefChem:9142557-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]diazepin-2-one5647-75-6313683-81-7F1596-04117-bromo-5-phenyl-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one7-bromo-5-phenyl-4-propanoyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-oneCambridge id 5647756Oprea1_241479Oprea1_668469
Show more names
MLS000687831IFLab1_000066SCHEMBL1420620CHEMBL1881094DTXSID90386284HMS1412C22HMS2587C03STK862172
Database identifiers
- CAS
5647-75-6- PubChem CID
- 2857771
- DTXSID
DTXSID90386284- ChEMBL
CHEMBL1881094
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…