Basic information
- Standard SMILES
CN(C(=O)N(C)C1CN(C(=O)C2CCN(C(=O)CC#N)CC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
WYRPZFYYOZWCTQ-UHFFFAOYSA-N- Molecular formula
- C30H30F7N5O3
- Average molar mass
- 641.6 g/mol
- Monoisotopic mass
- 641.22368697
Names & identifiers
- Preferred name
- 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[1-(2-cyanoacetyl)piperidine-4-carbonyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
- IUPAC
- 1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-[1-(2-cyanoacetyl)piperidine-4-carbonyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
Database identifiers
- PubChem CID
- 123740372
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
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