Basic information
- Standard SMILES
CN(C(=O)N(C)C1CN(C(=O)C2CCC(F)(F)CC2)CC1c1ccc(F)cc1)c1cc(Cl)cc(C(F)(F)F)c1- InChIKey
MBWSHCWQLGTPJH-UHFFFAOYSA-N- Molecular formula
- C27H28ClF6N3O2
- Average molar mass
- 576 g/mol
Names & identifiers
- Preferred name
- 1-[3-Chloro-5-(trifluoromethyl)phenyl]-3-[1-(4,4-difluorocyclohexanecarbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
- IUPAC
- 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-[1-(4,4-difluorocyclohexanecarbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
Database identifiers
- PubChem CID
- 123794604
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 874
Related reactions
1 records
Compound notes
Loading…