(5aS,8aR)-1-[(4-methoxyphenyl)methyl]-7-methyl-3,4,5a,6,8,8a-hexahydropyrrolo[3,4-f][1,4,5]oxathiazepine 2,2-dioxide
AlkaPlorer ID: AK447802
Synonym: None
IUPAC Name: (5aS,8aR)-1-[(4-methoxyphenyl)methyl]-7-methyl-3,4,5a,6,8,8a-hexahydropyrrolo[3,4-f][1,4,5]oxathiazepine 2,2-dioxide
Structure
SMILES: COC1=CC=C(CN2[C@@H]3CN(C)C[C@@H]3OCCS2(=O)=O)C=C1
InChI: InChI=1S/C15H22N2O4S/c1-16-10-14-15(11-16)21-7-8-22(18,19)17(14)9-12-3-5-13(20-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3/t14-,15+/m1/s1
InChIKey: LQHMFJINZILDMJ-CABCVRRESA-N
Reference
PubChem CID: 137954033
Source
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Properties Information
Molecule Weight: 326.418
TPSA？: 59.080000000000005
MolLogP？: 0.5398000000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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