(5aS,8aR)-1-[(3-fluorophenyl)methyl]-4,5a,6,7,8,8a-hexahydro-3H-pyrrolo[3,4-f][1,4,5]oxathiazepine 2,2-dioxide
AlkaPlorer ID: AK339475
Synonym: None
IUPAC Name: (5aS,8aR)-1-[(3-fluorophenyl)methyl]-4,5a,6,7,8,8a-hexahydro-3H-pyrrolo[3,4-f][1,4,5]oxathiazepine 2,2-dioxide
Structure
SMILES: O=S1(=O)CCO[C@H]2CNC[C@H]2N1CC1=CC(F)=CC=C1
InChI: InChI=1S/C13H17FN2O3S/c14-11-3-1-2-10(6-11)9-16-12-7-15-8-13(12)19-4-5-20(16,17)18/h1-3,6,12-13,15H,4-5,7-9H2/t12-,13+/m1/s1
InChIKey: AZXKVNBIDYLKTI-OLZOCXBDSA-N
Reference
PubChem CID: 137954115
Source
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Properties Information
Molecule Weight: 300.355
TPSA？: 58.64000000000001
MolLogP？: 0.3281000000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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