N11-Ethyl-N6-fluoromethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
Basic information
- CAS
132687-05-9- Standard SMILES
CCN1c2ccccc2N(CF)C(=O)c2cccnc21- InChIKey
VROVGMGODBOTLK-UHFFFAOYSA-N- Molecular formula
- C15H14FN3O
- Average molar mass
- 271.29 g/mol
- Monoisotopic mass
- 271.11209024
Names & identifiers
- Preferred name
- N11-Ethyl-N6-fluoromethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
- IUPAC
- 11-ethyl-6-(fluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one
Names & synonyms
132687-05-9N11-Ethyl-N6-fluoromethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-Ethyl-N6-fluoromethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one11-ethyl-6-(fluoromethyl)pyrido[3,2-c][1,5]benzodiazepin-5-oneCHEMBL312072SCHEMBL8791314DTXSID7015771211-Ethyl-6-(fluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
Database identifiers
- CAS
132687-05-9- PubChem CID
- 453264
- DTXSID
DTXSID70157712- ChEMBL
CHEMBL312072- Nikkaji
- J420.532D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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