Basic information
- Standard SMILES
CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2ccc(F)nc21- InChIKey
FESKECLMGVLGFJ-UHFFFAOYSA-N- Molecular formula
- C26H23FN4O
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-5-fluoro-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
- IUPAC
- 2-ethyl-5-fluoro-9-methyl-13-(2-naphthalen-2-ylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
BDBM2099CHEMBL101845SCHEMBL6964529FESKECLMGVLGFJ-UHFFFAOYSA-N2,8-Substituted Dipyridodiazepinone 4211-ethyl-2-fluoro-5-methyl-8-[2-(2-naphthyl)ethyl]dipyrido[[?],[?]][1,4]diazepin-6-one2-ethyl-5-fluoro-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-[2-(2-naphthyl)ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one8-[2-(Naphth-2-yl)ethyl]-N11-ethyl-N5-methyl-2-fluoro-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- PubChem CID
- 470740
- ChEMBL
CHEMBL101845
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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