Basic information
- Standard SMILES
COC1CN(c2ccc(C#CC3(NCCO)CCCCC3)c(Cc3ccccc3)n2)CC1O- InChIKey
JPRYHDDPUFFCPC-UHFFFAOYSA-N- Molecular formula
- C27H35N3O3
- Average molar mass
- 449.6 g/mol
- Monoisotopic mass
- 449.26784199
Names & identifiers
- Preferred name
- 1-[6-Benzyl-5-[2-[1-(2-hydroxyethylamino)cyclohexyl]ethynyl]-2-pyridinyl]-4-methoxypyrrolidin-3-ol
- IUPAC
- 1-[6-benzyl-5-[2-[1-(2-hydroxyethylamino)cyclohexyl]ethynyl]-2-pyridinyl]-4-methoxypyrrolidin-3-ol
Database identifiers
- PubChem CID
- 21942271
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
Loading…