1-[(5aS,8aR)-1-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4,5a,6,8,8a-hexahydropyrrolo[3,4-f][1,4,5]oxathiazepin-7-yl]-2-methoxyethanone
AlkaPlorer ID: AK426810
Synonym: None
IUPAC Name: 1-[(5aS,8aR)-1-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4,5a,6,8,8a-hexahydropyrrolo[3,4-f][1,4,5]oxathiazepin-7-yl]-2-methoxyethanone
Structure
SMILES: COCC(=O)N1C[C@@H]2OCCS(=O)(=O)N(CC3=CC=CC(F)=C3)[C@@H]2C1
InChI: InChI=1S/C16H21FN2O5S/c1-23-11-16(20)18-9-14-15(10-18)24-5-6-25(21,22)19(14)8-12-3-2-4-13(17)7-12/h2-4,7,14-15H,5-6,8-11H2,1H3/t14-,15+/m1/s1
InChIKey: JUGHJMMLMRMEHP-CABCVRRESA-N
Reference
Antibacterial and Antiandrogen Flavonoids from <i>Sophora </i><i>f</i><i>lavescens</i>
PubChem CID: 137954118
Source
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Properties Information
Molecule Weight: 372.41800000000006
TPSA？: 76.14999999999999
MolLogP？: 0.2135000000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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