N-(1,4-dioxan-2-ylmethyl)-N'-[6-fluoro-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-methylsulfamide
Basic information
- Standard SMILES
CN(CC1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1F- InChIKey
QJBLFGGOYOPUBL-UHFFFAOYSA-N- Molecular formula
- C24H24FN5O5S
- Average molar mass
- 513.5 g/mol
Names & identifiers
- Preferred name
- N-(1,4-dioxan-2-ylmethyl)-N'-[6-fluoro-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-methylsulfamide
- IUPAC
- 14-[[1,4-dioxan-2-ylmethyl(methyl)sulfamoyl]amino]-15-fluoro-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
Names & synonyms
SCHEMBL2447075QJBLFGGOYOPUBL-UHFFFAOYSA-NN-(1,4-dioxan-2-ylmethyl)-N'-[6-fluoro-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-methylsulfamide
Database identifiers
- PubChem CID
- 57722749
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 932
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Related reactions
2 records
Compound notes
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