Bay-784
(2S)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide
Molecular Identity
Bay-784
(2S)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide
PubChem CID: 85469632
2D Structure
Properties
C29H26ClF4N3O5S2
Molecular Formula
672.10
Molecular Weight
g/mol
671.0939
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
1280
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C2C3(CCS(=O)(=O)CC3)C4=C(N2S(=O)(=O)C5=CC=C(C=C5)F)C=CC(=C4)C(=O)NCC6=C(C=C(C=N6)C(F)(F)F)ClIsomeric SMILES
SMILES: C1CC1[C@H]2C3(CCS(=O)(=O)CC3)C4=C(N2S(=O)(=O)C5=CC=C(C=C5)F)C=CC(=C4)C(=O)NCC6=C(C=C(C=N6)C(F)(F)F)ClSynonyms(20)
BAY-7841631164-24-3BAY-121478466VRX9TN9TBAY1214784ent-5acompound 5a [PMID: 32960053]Spiro(3H-indole-3,4'-(4H)thiopyran)-5-carboxamide, N-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-cyclopropyl-1-((4-fluorophenyl)sulfonyl)-1,2,2',3',5',6'-hexahydro-, 1',1'-dioxide, (2S)-(2S)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamidecompound 5a (PMID: 32960053)(2S)-N-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro(2H-indole-3,4'-thiane)-5-carboxamideRefChem:199715BAY 1214784UNII-66VRX9TN9Torb1710313
Data from PubChem (NCBI)
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