Pretomanid
(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Molecular Identity
Pretomanid
(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID: 456199
2D Structure
Properties
C14H12F3N3O5
Molecular Formula
359.26
Molecular Weight
g/mol
359.0729
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
91.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
468
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pretomanid187235-37-6PA-824PA 824PA8242XOI31YC4NDTXSID80411632-nitro-6-(4-(trifluoromethoxy)benzyloxy)-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine(6S)-2-NITRO-6-{[4-(TRIFLUOROMETHOXY)PHENYL]METHOXY}-5H,6H,7H-IMIDAZO[2,1-B][1,3]OXAZINE(S)-2-NITRO-6-(4-(TRIFLUOROMETHOXY)BENZYLOXY)-6,7-DIHYDRO-5H-IMIDAZO(2,1-B)(1,3)OXAZINEPA824 cpdpretomanidum(6S)-2-nitro-6-((4-(trifluoromethoxy)phenyl)methoxy)-5H,6H,7H-imidazo(2,1-b)(1,3)oxazineRefChem:57158DTXCID6021163
Data from PubChem (NCBI)
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