ABT-639
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
Molecular Identity
ABT-639
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID: 46851313
2D Structure
Properties
C20H20ClF2N3O3S
Molecular Formula
455.90
Molecular Weight
g/mol
455.0882
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
78.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
737
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ABT-6391235560-28-7ABT 639ABT-639 free base0G7D0CQ88IBenzenesulfonamide, 4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]carbonyl]-5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamideBENZENESULFONAMIDE, 4-CHLORO-2-FLUORO-N-(2-FLUOROPHENYL)-5-(((8AR)-HEXAHYDROPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)CARBONYL)-5-((8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo(1,2-a)pyrazine-2-carbonyl)-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamideRefChem:108576T-type Calcium Channel Blocker ABT-6395-((8aR)-octahydropyrrolo(1,2-a)pyrazine-2-carbonyl)-4-chloro-2-fluoro-N-(2-fluorophenyl)benzene-1-sulfonamide(R)-4-Chloro-2-fluoro-N-(2-fluorophenyl)-5-(octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]carbonyl]benzenesulfonamideCHEMBL3589557
Data from PubChem (NCBI)
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