(s)-6-fluoro-10-[3-(3-methoxy-propyl)-piperazin-1-yl]-2-methyl-4H-3-thia-4,9-diaza-benzo[f]azulene

HCID 58626005
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Basic information

Standard SMILES
COCCC[C@H]1CN(C2=Nc3ccc(F)cc3Nc3sc(C)cc32)CCN1
InChIKey
FJADGRUTBASLDS-HNNXBMFYSA-N
Molecular formula
C20H25FN4OS
Average molar mass
388.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL4839232FJADGRUTBASLDS-HNNXBMFYSA-N(s)-6-fluoro-10-[3-(3-methoxy-propyl)-piperazin-1-yl]-2-methyl-4H-3-thia-4,9-diaza-benzo[f]azulene

Database identifiers

PubChem CID
58626005

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
77.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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