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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(C)nc3c(OC4CCOc5cc(F)cc(F)c54)cc(C(=O)N(C)C)cc32)cc1- InChIKey
DWDFAQSNXAMYMY-UHFFFAOYSA-N- Molecular formula
- C27H25F2N3O5S
- Average molar mass
- 541.6 g/mol
Names & identifiers
- Preferred name
- (5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy-N,N,2-trimethyl-1-[(4-methylphenyl)-sulfonyl]-1H-benzi midazole-6-carboxamide
- IUPAC
- 7-[(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy]-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
Names & synonyms
SCHEMBL3267778SCHEMBL30524324DWDFAQSNXAMYMY-UHFFFAOYSA-N1H-Benzimidazole-6-carboxamide, 4-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy-N,N,2-trimethyl-1-[(4-methylphenyl)-sulfonyl]-1H-benzi midazole-6-carboxamide4-[(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)-sulfonyl]-1H-benzi midazole-6-carboxamide4-[(5,7-Difluoro-3,4-dihydro-2H-chromen-4-yl)oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)sulfo nyl]-1H-benzimidazole-6-carboxamide
Database identifiers
- PubChem CID
- 68574644
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 957
Related reactions
5 records
Compound notes
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