8-{1-[2-(3,3-Difluoro-azetidine-1-sulfonyl)-ethyl]-azetidin-3-yl}-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HCID 58204275
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Basic information

Standard SMILES
CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(CCS(=O)(=O)N4CC(F)(F)C4)C3)ccc1-2
InChIKey
WFRLNDOHSPOPML-UHFFFAOYSA-N
Molecular formula
C24H28F2N6O3S2
Average molar mass
550.6 g/mol
Monoisotopic mass
550.16323745

Names & identifiers

Preferred name
8-{1-[2-(3,3-Difluoro-azetidine-1-sulfonyl)-ethyl]-azetidin-3-yl}-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene
IUPAC
8-[1-[2-(3,3-difluoroazetidin-1-yl)sulfonylethyl]azetidin-3-yl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole

Names & synonyms

8-{1-[2-(3,3-Difluoro-azetidine-1-sulfonyl)-ethyl]-azetidin-3-yl}-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azuleneSCHEMBL1484934

Database identifiers

PubChem CID
58204275

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
130 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
37

Related reactions

5 records
New reaction record

Compound notes

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