Basic information
- Standard SMILES
COc1cc(OC)c(CCC2(C3CCCC3)CC(O)=C(Cc3nc(-c4cnccn4)nn3C)C(=O)O2)cc1Cl- InChIKey
YCZHZAGXSXRFIQ-UHFFFAOYSA-N- Molecular formula
- C28H32ClN5O5
- Average molar mass
- 554 g/mol
Names & identifiers
- Preferred name
- 6-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-3-[(1-methyl-3-pyrazin-2-yl-1h-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-2h-pyran-2-one
- IUPAC
- 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-2-cyclopentyl-4-hydroxy-5-[(2-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)methyl]-3H-pyran-6-one
Names & synonyms
SCHEMBL4465720YCZHZAGXSXRFIQ-UHFFFAOYSA-N6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-3-[(1-methyl-3-pyrazin-2-yl-1h-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-2h-pyran-2-one
Database identifiers
- PubChem CID
- 58764014
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 888
Related reactions
4 records
Compound notes
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