(S)-6-Fluoro-10-[3-(3-methoxy-propyl)-piperazin-1-yl]-4H-3-thia-4,9-diaza-benzo[f]azulene

HCID 9999487
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Basic information

Standard SMILES
COCCC[C@H]1CN(C2=Nc3ccc(F)cc3Nc3sccc32)CCN1
InChIKey
VFFAZXCCKPSWFP-AWEZNQCLSA-N
Molecular formula
C19H23FN4OS
Average molar mass
374.5 g/mol

Names & identifiers

Preferred name
(S)-6-Fluoro-10-[3-(3-methoxy-propyl)-piperazin-1-yl]-4H-3-thia-4,9-diaza-benzo[f]azulene
IUPAC
8-fluoro-4-[(3S)-3-(3-methoxypropyl)piperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine

Names & synonyms

SCHEMBL4843407VFFAZXCCKPSWFP-AWEZNQCLSA-N(S)-6-Fluoro-10-[3-(3-methoxy-propyl)-piperazin-1-yl]-4H-3-thia-4,9-diaza-benzo[f]azulene

Database identifiers

PubChem CID
9999487

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
77.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
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Compound notes

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