(4aRS,7aRS)-4,4-diphenyl-6-[(2-methoxyphenyl)acetyl]perhydrothiopyrano[2,3-c]pyrrole

HCID 67745346
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1CC(=O)N1CC2SCCC(c3ccccc3)(c3ccccc3)C2C1
InChIKey
BRIPLRHBCFZZIO-UHFFFAOYSA-N
Molecular formula
C28H29NO2S
Average molar mass
443.6 g/mol

Names & identifiers

Preferred name
(4aRS,7aRS)-4,4-diphenyl-6-[(2-methoxyphenyl)acetyl]perhydrothiopyrano[2,3-c]pyrrole
IUPAC
1-(4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl)-2-(2-methoxyphenyl)ethanone

Names & synonyms

SCHEMBL8998073BRIPLRHBCFZZIO-UHFFFAOYSA-N(4aRS,7aRS)-4,4-diphenyl-6-[(2-methoxyphenyl)acetyl]perhydrothiopyrano[2,3 -c]pyrrole

Database identifiers

PubChem CID
67745346

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
54.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

Loading…