tert-butyl 4-{1-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxo-6-phenyl-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}piperidine-1-carboxylate
Basic information
- Standard SMILES
Cc1csc(Cn2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3sc(-c4ccccc4)cc32)n1- InChIKey
NDPVKDLQYSJSAG-UHFFFAOYSA-N- Molecular formula
- C27H30N4O4S2
- Average molar mass
- 538.7 g/mol
- Monoisotopic mass
- 538.1708478
Names & identifiers
- Preferred name
- tert-butyl 4-{1-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxo-6-phenyl-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxo-6-phenylthieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2041898NDPVKDLQYSJSAG-UHFFFAOYSA-Ntert-butyl 4-{1-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxo-6-phenyl-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67258239
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 869
Related reactions
2 records
Compound notes
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