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Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(c1ccc(Cn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)cc1)C1CCCC1- InChIKey
UOMHFTAZDQDNGE-UHFFFAOYSA-N- Molecular formula
- C32H33ClN2O3
- Average molar mass
- 529.1 g/mol
- Monoisotopic mass
- 528.2179706
Names & identifiers
- Preferred name
- tert-Butyl(4-{[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]methyl}phenyl)(cyclopentyl)acetate
- IUPAC
- tert-butyl 2-[4-[[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]methyl]phenyl]-2-cyclopentylacetate
Names & synonyms
SCHEMBL12871525UOMHFTAZDQDNGE-UHFFFAOYSA-Ntert-Butyl(4-{[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]methyl}phenyl)(cyclopentyl)acetate
Database identifiers
- PubChem CID
- 58136552
Properties
Computed structural propertiesFilling in
- XLogP
- 8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 860
Related reactions
1 records
Compound notes
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