Basic information
- Standard SMILES
CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)N3CCN(Cc4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)CC3)cc2F)no1- InChIKey
LRLCUUUHRVQGLW-UHFFFAOYSA-N- Molecular formula
- C29H30F7N5O4
- Average molar mass
- 645.6 g/mol
Names & identifiers
- Preferred name
- 1-(5-tert-Butylisoxazol-3-yl)-3-(2-fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)urea
- IUPAC
- 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperazine-1-carbonyl]phenyl]urea
Names & synonyms
1-(5-tert-Butylisoxazol-3-yl)-3-(2-fluoro-4-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazine-1-carbonyl)phenyl)ureaSCHEMBL1512416
Database identifiers
- PubChem CID
- 44512154
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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