Atecegatran metoxil
(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]methyl]azetidine-2-carboxamide
Molecular Identity
Atecegatran metoxil
(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]methyl]azetidine-2-carboxamide
PubChem CID: 9961205
2D Structure
Properties
C22H23ClF2N4O5
Molecular Formula
496.90
Molecular Weight
g/mol
496.1325
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
738
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Atecegatran metoxilAtecegatran fexenetilAZD0837AZD 0837433937-93-04GU1D587JVatecegatran metoxiloAZD-0837(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]methyl]azetidine-2-carboxamide(2S)-1-((2R)-2-(3-CHLORO-5-(DIFLUOROMETHOXY)PHENYL)-2-HYDROXYACETYL)-N-((4-((Z)-N'-METHOXYCARBAMIMIDOYL)PHENYL)METHYL)AZETIDINE-2-CARBOXAMIDE2-AZETIDINECARBOXAMIDE, 1-((2R)-(3-CHLORO-5-(DIFLUOROMETHOXY)PHENYL)HYDROXYACETYL)-N-((4-(IMINO(METHOXYAMINO)METHYL)PHENYL)METHYL)-, (2S)-(2S)-1-((2R)-2-(3-chloro-5-(difluoromethoxy)phenyl)-2-hydroxyacetyl)-N-((4-(N'-methoxycarbamimidoyl)phenyl)methyl)azetidine-2-carboxamide(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-(N'-methoxycarbamimidoyl)phenyl]methyl]azetidine-2-carboxamideatecegatranum metoxilumRefChem:115408
Data from PubChem (NCBI)
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