Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(SCc2ccccc2)n1- InChIKey
GFYBVBJBNNKXFO-UHFFFAOYSA-N- Molecular formula
- C24H24F3N3O2S
- Average molar mass
- 475.5 g/mol
Names & identifiers
- Preferred name
- [2-Benzylsulfanyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-ylmethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[2-benzylsulfanyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]carbamate
Names & synonyms
[2-benzylsulfanyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-ylmethyl]-carbamic acid tert-butyl esterSCHEMBL893888DB-210193Tert-butyl (2-(benzylthio)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)methylcarbamate1257437-04-9tert-butyl N-[[2-(benzylsulfanyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]carbamate
Database identifiers
- PubChem CID
- 66832575
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 615
Related reactions
3 records
Compound notes
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