2-[7-(3-Fluoro-phenylsulfanyl)-1-methyl-1,2,3,4-tetrahydro-benzofuro[2,3-c]pyridin-1-ylmethyl]isoindole-1,3-dione
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC1(CN2C(=O)c3ccccc3C2=O)NCCc2c1oc1cc(Sc3cccc(F)c3)ccc21- InChIKey
KPSKBRKOGBXALR-UHFFFAOYSA-N- Molecular formula
- C27H21FN2O3S
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.12569187
Names & identifiers
- Preferred name
- 2-[7-(3-Fluoro-phenylsulfanyl)-1-methyl-1,2,3,4-tetrahydro-benzofuro[2,3-c]pyridin-1-ylmethyl]isoindole-1,3-dione
- IUPAC
- 2-[[7-(3-fluorophenyl)sulfanyl-1-methyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridin-1-yl]methyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL2224787KPSKBRKOGBXALR-UHFFFAOYSA-N2-({7-[(3-Fluorophenyl)sulfanyl]-1-methyl-1,2,3,4-tetrahydro[1]benzofuro[2,3-c]pyridin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione2-[7-(3-fluoro-phenylsulfanyl)-1-methyl-1,2,3,4-tetrahydro-benzofuro[2,3-c]pyridin-1-ylmethyl]isoindole-1,3-dione
Database identifiers
- PubChem CID
- 67323866
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 789
Related reactions
2 records
Compound notes
Loading…