Basic information
- Standard SMILES
CNCCCCCNC(=O)COc1cc(F)ccc1-c1c(C2CCCCC2)c2ccc(C(=O)OC)cc2n1C- InChIKey
QLUMXPZENAWAET-UHFFFAOYSA-N- Molecular formula
- C31H40FN3O4
- Average molar mass
- 537.7 g/mol
- Monoisotopic mass
- 537.30028493
Names & identifiers
- Preferred name
- Methyl 3-cyclohexyl-2-[4-fluoro-2-[2-[5-(methylamino)pentylamino]-2-oxoethoxy]phenyl]-1-methylindole-6-carboxylate
- IUPAC
- methyl 3-cyclohexyl-2-[4-fluoro-2-[2-[5-(methylamino)pentylamino]-2-oxoethoxy]phenyl]-1-methylindole-6-carboxylate
Names & synonyms
SCHEMBL1979133
Database identifiers
- PubChem CID
- 58317841
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 779
Related reactions
2 records
Compound notes
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