Basic information
- Standard SMILES
Cc1c(Nc2ccc(I)cc2F)c(NS(=O)(=O)C2CC(OCc3ccccc3)C2)c2n(c1=O)CCS2- InChIKey
DPHABJTYLPOBRZ-UHFFFAOYSA-N- Molecular formula
- C25H25FIN3O4S2
- Average molar mass
- 641.5 g/mol
- Monoisotopic mass
- 641.03152
Names & identifiers
- Preferred name
- 3-Benzyloxy-cyclobutanesulfonic acid [7-(2-fluoro-4-iodo-phenylamino)-6-methyl-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyridin-8-yl]-amide
- IUPAC
- N-[7-(2-fluoro-4-iodoanilino)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-3-phenylmethoxycyclobutane-1-sulfonamide
Names & synonyms
SCHEMBL1869978DPHABJTYLPOBRZ-UHFFFAOYSA-N3-Benzyloxy-cyclobutanesulfonic acid [7-(2-fluoro-4-iodo-phenylamino)-6-methyl-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyridin-8-yl]-amide
Database identifiers
- PubChem CID
- 58380577
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
4 records
Compound notes
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