Basic information
- Standard SMILES
CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)O)c(OCC4CCOC4)nc3c2)n1- InChIKey
HNJYCJKSWGXPRE-UHFFFAOYSA-N- Molecular formula
- C24H27N3O5S
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- 3-[4-Oxo-2-(oxolan-3-ylmethoxy)-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid
- IUPAC
- 3-[4-oxo-2-(oxolan-3-ylmethoxy)-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid
Names & synonyms
SCHEMBL5908520
Database identifiers
- PubChem CID
- 69603268
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 936
Related reactions
1 records
Compound notes
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