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Basic information
- Standard SMILES
CNC(=O)c1c(-c2ccc(F)cc2)oc2nc3c(cc12)C(C)CN(S(C)(=O)=O)CCN3S(C)(=O)=O- InChIKey
WMTRWODOUNXOCV-UHFFFAOYSA-N- Molecular formula
- C22H25FN4O6S2
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.11995504
Names & identifiers
- Preferred name
- 2-(4-Fluoro-phenyl)-7,10-bis-methanesulfonyl-5-methyl-5,6,7,8,9,10-hexahydro-1-oxa-7,10,11-triaza-cycloocta[f]indene-3-carboxylic acid methylamide
- IUPAC
- 5-(4-fluorophenyl)-N,10-dimethyl-12,15-bis(methylsulfonyl)-4-oxa-2,12,15-triazatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7-tetraene-6-carboxamide
Names & synonyms
SCHEMBL354489WMTRWODOUNXOCV-UHFFFAOYSA-N2-(4-Fluoro-phenyl)-7,10-bis-methanesulfonyl-5-methyl-5,6,7,8,9,10-hexahydro-1-oxa-7,10,11-triaza-cycloocta[f]indene-3-carboxylic acid methylamide
Database identifiers
- PubChem CID
- 54575672
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 992
Related reactions
2 records
Compound notes
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