Basic information
- Standard SMILES
CCOC(=O)Nc1c(C)cc(N2CCc3cc(C(F)(F)F)ccc3C2)cc1C- InChIKey
ILASNVQYHYJIFT-UHFFFAOYSA-N- Molecular formula
- C21H23F3N2O2
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- [2,6-Dimethyl-4-(6-trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenyl]-carbamic acid ethyl ester
- IUPAC
- ethyl N-[2,6-dimethyl-4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]carbamate
Names & synonyms
[2,6-Dimethyl-4-(6-trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenyl]-carbamic acid ethyl esterSCHEMBL1000072SCHEMBL30824638
Database identifiers
- PubChem CID
- 58097366
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
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