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

HCID 136128366

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

Related reactions

3 records

Compound notes

Loading…