Basic information
- Standard SMILES
C#CCN(c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1)C(C)c1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1C- InChIKey
SJLXSCAFRLMESO-UHFFFAOYSA-N- Molecular formula
- C34H30F5N3O5
- Average molar mass
- 655.6 g/mol
Names & identifiers
- Preferred name
- pentafluorophenyl p-{N-[1-(2,7-dimethyl-4-oxo-3-(pivaloyloxymethyl)-3,4-dihydroquinazolin-6-yl)ethyl]-N-(prop-2-ynyl)amino}benzoate
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]ethyl-prop-2-ynylamino]benzoate
Names & synonyms
SCHEMBL8488020SJLXSCAFRLMESO-UHFFFAOYSA-Npentafluorophenyl p-{N-[1-(2,7-dimethyl-4-oxo-3-(pivaloyloxymethyl)-3,4-dihydroquinazolin-6-yl)ethyl]-N-(prop-2-ynyl)amino}benzoate
Database identifiers
- PubChem CID
- 21847799
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
1 records
Compound notes
Loading…