Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cccc(-n3ncc4cc(C(C)(C)C)ccc4c3=O)c2COC(C)=O)n1C- InChIKey
RTFZEPRMOGZPHM-UHFFFAOYSA-N- Molecular formula
- C28H29N3O5
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.21072103
Names & identifiers
- Preferred name
- 5-[2-acetoxymethyl-3-(6-tert-butyl-1-oxo-1H-phthalazin-2-yl)-phenyl]-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-[2-(acetyloxymethyl)-3-(6-tert-butyl-1-oxophthalazin-2-yl)phenyl]-1-methylpyrrole-2-carboxylate
Names & synonyms
SCHEMBL13834670RTFZEPRMOGZPHM-UHFFFAOYSA-N5-[2-acetoxymethyl-3-(6-tert-butyl-1-oxo-1H-phthalazin-2-yl)-phenyl]-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 71008124
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 868
Related reactions
2 records
Compound notes
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