tert-butyl 4-[6-bromo-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]piperidine-1-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COCc1noc(Cn2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3sc(Br)cc32)n1- InChIKey
VBDJYMDROZCONR-UHFFFAOYSA-N- Molecular formula
- C21H26BrN5O6S
- Average molar mass
- 556.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-[6-bromo-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[6-bromo-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2046909VBDJYMDROZCONR-UHFFFAOYSA-Ntert-butyl 4-[6-bromo-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67259367
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 792
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Related reactions
1 records
Compound notes
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