Basic information
- Standard SMILES
Clc1nnc(NCC2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)c2ccccc12- InChIKey
DMEVJIWKHYQVDR-UHFFFAOYSA-N- Molecular formula
- C27H33ClN4O2
- Average molar mass
- 481 g/mol
Names & identifiers
- Preferred name
- 4-chloro-N-({4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-yl}methyl)phthalazin-1-amine
- IUPAC
- 4-chloro-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]phthalazin-1-amine
Names & synonyms
SCHEMBL3277011DMEVJIWKHYQVDR-UHFFFAOYSA-N4-chloro-N-({4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-yl}methyl)phthalazin-1-amine
Database identifiers
- PubChem CID
- 86601906
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 605
Related reactions
2 records
Compound notes
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