N11-(2-Fluoroethyl)-N5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Basic information
- CAS
133627-08-4- Standard SMILES
CN1C(=O)c2cccnc2N(CCF)c2ncccc21- InChIKey
VHWMCYSUONKRJA-UHFFFAOYSA-N- Molecular formula
- C14H13FN4O
- Average molar mass
- 272.28 g/mol
- Monoisotopic mass
- 272.10733921
Names & identifiers
- Preferred name
- N11-(2-Fluoroethyl)-N5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
- IUPAC
- 2-(2-fluoroethyl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
133627-08-4CHEMBL37722N11-(2-Fluoroethyl)-N5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneN11-(2-Fluoroethyl)-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneDTXSID80928218BDBM5009577311-(2-fluoroethyl)-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one11-(2-Fluoroethyl)-5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-(2-Fluoro-ethyl)-10-methyl-5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-11-one
Database identifiers
- CAS
133627-08-4- PubChem CID
- 453322
- DTXSID
DTXSID80928218- ChEMBL
CHEMBL37722- Nikkaji
- J420.590A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
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Compound notes
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