1-[(5aS,8aR)-1-[(3-fluoro-5-methylphenyl)methyl]-2,2-dioxo-3,4,5a,6,8,8a-hexahydropyrrolo[3,4-f][1,4,5]oxathiazepin-7-yl]-2-methylpropan-1-one
AlkaPlorer ID: AK489723
Synonym: None
IUPAC Name: 1-[(5aS,8aR)-1-[(3-fluoro-5-methylphenyl)methyl]-2,2-dioxo-3,4,5a,6,8,8a-hexahydropyrrolo[3,4-f][1,4,5]oxathiazepin-7-yl]-2-methylpropan-1-one
Structure
SMILES: CC1=CC(F)=CC(CN2[C@@H]3CN(C(=O)C(C)C)C[C@@H]3OCCS2(=O)=O)=C1
InChI: InChI=1S/C18H25FN2O4S/c1-12(2)18(22)20-10-16-17(11-20)25-4-5-26(23,24)21(16)9-14-6-13(3)7-15(19)8-14/h6-8,12,16-17H,4-5,9-11H2,1-3H3/t16-,17+/m1/s1
InChIKey: PKAPXMNYJYVYOB-SJORKVTESA-N
Reference
Phragmalin- and Mexicanolide-Type Limonoids from the Leaves of <i>Trichilia connaroides</i>
PubChem CID: 137954183
Source
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Properties Information
Molecule Weight: 384.4730000000001
TPSA？: 66.92
MolLogP？: 1.53152
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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