Basic information
- Standard SMILES
CC(=O)OCc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(=O)CC3- InChIKey
ISEYMFNDTKFIRH-UHFFFAOYSA-N- Molecular formula
- C20H22N2O6
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 2-Acetoxymethyl-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-4,6-dione
- IUPAC
- [2-(acetyloxymethyl)-4,6-dioxo-7,8-dihydrocyclopenta[g]quinazolin-3-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL6580384ISEYMFNDTKFIRH-UHFFFAOYSA-N2-Acetoxymethyl-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-4,6-dione
Database identifiers
- PubChem CID
- 22744280
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 723
Related reactions
2 records
Compound notes
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