Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(Cc1coc(/C=C/c2ccc(S(=O)C(F)(F)F)cc2)n1)c1ccc(CCCCn2ccnn2)cc1- InChIKey
VLHYOEQRWQDNOC-LFIBNONCSA-N- Molecular formula
- C30H32F3N5O4S
- Average molar mass
- 615.7 g/mol
Names & identifiers
- Preferred name
- [4-(4-[1,2,3]triazol-1-yl-butyl)phenyl]-{2-[(E)-2-(-4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[4-(triazol-1-yl)butyl]phenyl]-N-[[2-[(E)-2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]carbamate
Names & synonyms
[4-(4-[1,2,3]triazol-1-yl-butyl)phenyl]-{2-[(E)-2-(-4-trifluoromethanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethyl}-carbamic acid tert-butyl esterSCHEMBL5558371
Database identifiers
- PubChem CID
- 69487104
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 934
Related reactions
1 records
Compound notes
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