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Basic information
- Standard SMILES
COc1ccc(C2=NN(C3CCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC1CCCC1- InChIKey
LCXAYLRXNJWEQY-RTWAWAEBSA-N- Molecular formula
- C25H32N2O3
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- (cis)-4-(3-Cyclopentyloxy-4-methoxyphenyl)-2-cyclopentyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
- IUPAC
- (4aR,8aS)-2-cyclopentyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
Names & synonyms
SCHEMBL7142619LCXAYLRXNJWEQY-RTWAWAEBSA-N(cis)-4-(3-Cyclopentyloxy-4-methoxyphenyl)-2-cyclopentyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 70002575
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 678
Related reactions
2 records
Compound notes
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