Basic information
- Standard SMILES
Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)c(F)c1)C2- InChIKey
QBKBJUHCSKLSDZ-UHFFFAOYSA-N- Molecular formula
- C30H37FN6O4
- Average molar mass
- 564.7 g/mol
Names & identifiers
- Preferred name
- 4-{3-[2-Fluoro-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-propyl}-piperazine-1-carboxylic Acid Tert-butyl Ester
- IUPAC
- tert-butyl 4-[3-[2-fluoro-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]propyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL2128612QBKBJUHCSKLSDZ-UHFFFAOYSA-N4-{3-[2-Fluoro-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-propyl}-piperazine-1-carboxylic Acid Tert-butyl Ester
Database identifiers
- PubChem CID
- 136128366
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 897
Related reactions
3 records
Compound notes
Loading…