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Basic information
- Standard SMILES
CCOC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)nc4)cc(OC(COC)COC)c3[nH]2)S1- InChIKey
KLLZFMZYAMDTPT-UHFFFAOYSA-N- Molecular formula
- C26H31N3O8S2
- Average molar mass
- 577.7 g/mol
- Monoisotopic mass
- 577.1552573
Names & identifiers
- Preferred name
- Ethyl [2-(7-[2-methoxy-1-(methoxymethyl)ethoxy]-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetate
- IUPAC
- ethyl 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
Names & synonyms
SCHEMBL1077242KLLZFMZYAMDTPT-UHFFFAOYSA-NEthyl [2-(7-[2-methoxy-1-(methoxymethyl)ethoxy]-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetate
Database identifiers
- PubChem CID
- 66898144
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 940
Related reactions
3 records
Compound notes
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