Basic information
- Standard SMILES
CC1CN(C(=O)C2CCCCC2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12- InChIKey
LPJGZWFHKKVXKQ-UHFFFAOYSA-N- Molecular formula
- C27H32N4O2
- Average molar mass
- 444.6 g/mol
Names & identifiers
- Preferred name
- Cyclohexyl-[4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]methanone
- IUPAC
- cyclohexyl-[4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]methanone
Names & synonyms
SCHEMBL1090559
Database identifiers
- PubChem CID
- 25151069
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
Related reactions
1 records
Compound notes
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