1-[2-tert-butyl-1-[(4-fluorocyclohexyl)methyl]benzimidazol-5-yl]sulfonyl-N-(2-hydroxyethyl)pyrrole-3-carboxamide
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Basic information
- Standard SMILES
CC(C)(C)c1nc2cc(S(=O)(=O)n3ccc(C(=O)NCCO)c3)ccc2n1CC1CCC(F)CC1- InChIKey
NLQKJGMCAIPXKQ-UHFFFAOYSA-N- Molecular formula
- C25H33FN4O4S
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- 1-[2-tert-butyl-1-[(4-fluorocyclohexyl)methyl]benzimidazol-5-yl]sulfonyl-N-(2-hydroxyethyl)pyrrole-3-carboxamide
- IUPAC
- 1-[2-tert-butyl-1-[(4-fluorocyclohexyl)methyl]benzimidazol-5-yl]sulfonyl-N-(2-hydroxyethyl)pyrrole-3-carboxamide
Names & synonyms
SCHEMBL1609152
Database identifiers
- PubChem CID
- 57937331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 837
Related reactions
1 records
Compound notes
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