Basic information
- Standard SMILES
CCOC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)nc4)cc(OC4CCOCC4)c3[nH]2)S1- InChIKey
RVCFJXQVDNTGAG-UHFFFAOYSA-N- Molecular formula
- C26H29N3O7S2
- Average molar mass
- 559.7 g/mol
- Monoisotopic mass
- 559.14469262
Names & identifiers
- Preferred name
- ethyl {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}acetate
- IUPAC
- ethyl 2-[2-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
Names & synonyms
SCHEMBL10240515RVCFJXQVDNTGAG-UHFFFAOYSA-Nethyl {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}acetateethyl{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}acetate
Database identifiers
- PubChem CID
- 58081069
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 953
Related reactions
4 records
Compound notes
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