Basic information
- Standard SMILES
C=C(C)COC(=O)N=C(N)c1ccc(NC(c2nc(OCOC(=O)C(C)(C)COC)n(-c3ncccn3)n2)c2cc(OC)cc(OCCOC(C)=O)c2F)cc1- InChIKey
BJTWQOOTWGRFCF-UHFFFAOYSA-N- Molecular formula
- C37H43FN8O10
- Average molar mass
- 778.8 g/mol
Names & identifiers
- Preferred name
- 3-methoxy-2,2-dimethylpropionic acid 5-[[3-(2-acetoxyethoxy)-2-fluoro-5-methoxyphenyl]-(4-{amino[2-methylall yloxycarbonylimino]methyl}phenylamino)methyl]-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester
- IUPAC
- [5-[[3-(2-acetyloxyethoxy)-2-fluoro-5-methoxyphenyl]-[4-[N'-(2-methylprop-2-enoxycarbonyl)carbamimidoyl]anilino]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl 3-methoxy-2,2-dimethylpropanoate
Names & synonyms
BJTWQOOTWGRFCF-UHFFFAOYSA-N3-methoxy-2,2-dimethylpropionic acid 5-[[3-(2-acetoxyethoxy)-2-fluoro-5-methoxyphenyl]-(4-{amino[2-methylall yloxycarbonylimino]methyl}phenylamino)methyl]-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester
Database identifiers
- PubChem CID
- 68212865
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 22
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
5 records
Compound notes
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