Basic information
- Standard SMILES
COC[C@H](C)Oc1cc(Oc2ccc(C(=O)N3CC(OC4CCCCO4)C3)cc2F)cc(-c2ccc(-c3nccs3)[nH]2)c1- InChIKey
RFSIKYUJZMTIIR-JGZNSJETSA-N- Molecular formula
- C32H34FN3O6S
- Average molar mass
- 607.7 g/mol
- Monoisotopic mass
- 607.21523515
Names & identifiers
- Preferred name
- 2-(5-{3-(2-Fluoro-4-{[3-(tetrahydro-2H-pyran-2-yloxy)azetidin-1-yl]carbonyl}phenoxy)-5-[(1S)-2-methoxy-1-methylethoxy]phenyl}-1H-pyrrol-2-yl)-1,3-thiazole
- IUPAC
- [3-fluoro-4-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]phenoxy]phenyl]-[3-(oxan-2-yloxy)azetidin-1-yl]methanone
Names & synonyms
SCHEMBL421188RFSIKYUJZMTIIR-JGZNSJETSA-N2-(5-{3-(2-Fluoro-4-{[3-(tetrahydro-2H-pyran-2-yloxy)azetidin-1-yl]carbonyl}phenoxy)-5-[(1S)-2-methoxy-1-methylethoxy]phenyl}-1H-pyrrol-2-yl)-1,3-thiazole
Database identifiers
- PubChem CID
- 66680896
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 901
Related reactions
4 records
Compound notes
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