Basic information
- Standard SMILES
CC(C)(O)CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)nc4)cc(OC4CCOCC4)c3[nH]2)S1- InChIKey
QFGKOKWMWCEAFA-UHFFFAOYSA-N- Molecular formula
- C28H34N4O7S2
- Average molar mass
- 602.7 g/mol
- Monoisotopic mass
- 602.18689178
Names & identifiers
- Preferred name
- N-(2-Hydroxy-2-methylpropyl)-2-{2-[5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide
- IUPAC
- N-(2-hydroxy-2-methylpropyl)-2-[2-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
Names & synonyms
SCHEMBL565174QFGKOKWMWCEAFA-UHFFFAOYSA-NN-(2-Hydroxy-2-methylpropyl)-2-{2-[5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Database identifiers
- PubChem CID
- 66726331
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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