Basic information
- Standard SMILES
CCOC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2C)nc1- InChIKey
AZTPRIPWSNDKNT-UHFFFAOYSA-N- Molecular formula
- C28H29N5O2
- Average molar mass
- 467.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-[4-(4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carboxylate
- IUPAC
- ethyl 6-[4-(4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carboxylate
Names & synonyms
SCHEMBL3600788
Database identifiers
- PubChem CID
- 68708703
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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