Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1- InChIKey
MJYFENLQGKDGKC-UHFFFAOYSA-N- Molecular formula
- C37H40ClF3N2O3
- Average molar mass
- 653.2 g/mol
Names & identifiers
- Preferred name
- N-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-2,2-diphenylethyl-amino]-propoxy}-phenyl)-N-methyl-carbamic Acid Tert-Butyl Ester
- IUPAC
- tert-butyl N-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-methylcarbamate
Names & synonyms
N-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-2,2-diphenylethyl-amino]-propoxy}-phenyl)-N-methyl-carbamic Acid Tert-Butyl EsterSCHEMBL4948148
Database identifiers
- PubChem CID
- 69252425
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 885
Related reactions
2 records
Compound notes
Loading…