Basic information
- Standard SMILES
COc1cc(OC)c(CCC2(C3CCCC3)CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl- InChIKey
IBZVLWNFPCLMQZ-UHFFFAOYSA-N- Molecular formula
- C28H33ClN4O5
- Average molar mass
- 541 g/mol
- Monoisotopic mass
- 540.2139479
Names & identifiers
- Preferred name
- 6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]dihydro-2H-pyran-2,4(3H)-dione
- IUPAC
- 6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]oxane-2,4-dione
Names & synonyms
SCHEMBL3993753IBZVLWNFPCLMQZ-UHFFFAOYSA-N6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]dihydro-2H-pyran-2,4(3H)-dione
Database identifiers
- PubChem CID
- 68868698
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 859
Related reactions
3 records
Compound notes
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