Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2F)cc1NC(=O)CC(=O)c1csc(-n2ccnc2)n1- InChIKey
DQNHERHLARWTKZ-UHFFFAOYSA-N- Molecular formula
- C26H24FN5O4S
- Average molar mass
- 521.6 g/mol
- Monoisotopic mass
- 521.1533036
Names & identifiers
- Preferred name
- {2'-Fluoro-3-[3-(2-imidazol-1-yl-thiazol-4-yl)-3-oxo-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester
- IUPAC
- tert-butyl N-[4-(2-fluorophenyl)-2-[[3-(2-imidazol-1-yl-1,3-thiazol-4-yl)-3-oxopropanoyl]amino]phenyl]carbamate
Names & synonyms
SCHEMBL5868815DQNHERHLARWTKZ-UHFFFAOYSA-N{2'-Fluoro-3-[3-(2-imidazol-1-yl-thiazol-4-yl)-3-oxo-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester
Database identifiers
- PubChem CID
- 86588076
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Related reactions
10 records
Compound notes
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