Basic information
- Standard SMILES
CCCOC(=O)Cc1c2n(c3c(F)cccc13)CC(OS(C)(=O)=O)CC2- InChIKey
NVVQLZJACGDVNE-UHFFFAOYSA-N- Molecular formula
- C18H22FNO5S
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- Propyl {4-fluoro-7-[(methylsulfonyl)oxy]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetate
- IUPAC
- propyl 2-(4-fluoro-7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate
Names & synonyms
NVVQLZJACGDVNE-UHFFFAOYSA-Npropyl {4-fluoro-7-[(methylsulfonyl)oxy]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetatepropyl {4-fluoro-7-[(methylsulfonyl)oxy]-6,7,8,9-tetrahydropyrido[1,2-alpha]indol-10-yl}acetate
Database identifiers
- PubChem CID
- 86645393
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 607
Related reactions
3 records
Compound notes
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