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Basic information
- Standard SMILES
CN(CC1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1F- InChIKey
RCYVGEUIFMDFBC-UHFFFAOYSA-N- Molecular formula
- C20H19ClFN3O5S
- Average molar mass
- 467.9 g/mol
- Monoisotopic mass
- 467.0717977
Names & identifiers
- Preferred name
- N'-(3-chloro-6-fluoro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)-N-(1,4-dioxan-2-ylmethyl)-N-methylsulfamide
- IUPAC
- 5-chloro-14-[[1,4-dioxan-2-ylmethyl(methyl)sulfamoyl]amino]-15-fluoro-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
Names & synonyms
SCHEMBL2447023RCYVGEUIFMDFBC-UHFFFAOYSA-NN'-(3-chloro-6-fluoro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)-N-(1,4-dioxan-2-ylmethyl)-N-methylsulfamide
Database identifiers
- PubChem CID
- 57722790
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 794
Related reactions
5 records
Compound notes
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