Methyl 3-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]pentanoate
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Basic information
- Standard SMILES
CCC(CC(=O)OC)n1c(=O)c2ncccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O- InChIKey
PDZBCZNFKTXRLL-UHFFFAOYSA-N- Molecular formula
- C23H24N4O4S
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]pentanoate
- IUPAC
- methyl 3-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]pentanoate
Names & synonyms
SCHEMBL2698943
Database identifiers
- PubChem CID
- 67503565
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 737
Related reactions
2 records
Compound notes
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