Basic information
- Standard SMILES
CC(=O)OCc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(N(C)c1ccc(C(=O)OC(C)(C)C)cc1)CC3- InChIKey
JDEFDYCFVRZIMC-UHFFFAOYSA-N- Molecular formula
- C32H39N3O7
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-[N-[-2-Acetoxymethyl-4-oxo-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-6-yl]-N-methylamino]benzoate
- IUPAC
- tert-butyl 4-[[2-(acetyloxymethyl)-3-(2,2-dimethylpropanoyloxymethyl)-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]-methylamino]benzoate
Names & synonyms
SCHEMBL6582588JDEFDYCFVRZIMC-UHFFFAOYSA-Ntert-Butyl 4-[N-[-2-Acetoxymethyl-4-oxo-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-6-yl]-N-methylamino]benzoate
Database identifiers
- PubChem CID
- 22744296
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
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