Basic information
- Standard SMILES
CCN1CCN(C(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)CC2)C(=O)C1=O- InChIKey
MNNXYABGSPITFF-LEWJYISDSA-N- Molecular formula
- C28H35N5O6
- Average molar mass
- 537.6 g/mol
Names & identifiers
- Preferred name
- 1-(1-{4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-methanoyl)-4-ethyl-piperazine-2,3-dione
- IUPAC
- 1-[4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
Names & synonyms
SCHEMBL2886857MNNXYABGSPITFF-LEWJYISDSA-N1(1-(4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl)-methanoyl)-4-ethyl-piperazine-2,3-dione1-(1-{4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-methanoyl)-4-ethyl-piperazine-2,3-dione1-(1-{4-[(4aS,8aR)-4-(3,4-Dimethoxyphenyl)-1-oxo4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-methanoyl)-4-ethyl-piperazine-2,3-dione
Database identifiers
- PubChem CID
- 9828642
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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