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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2csc3c(=O)[nH]cnc23)CC1- InChIKey
VELLQUIMGPFOPX-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.13036271
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-7-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-oxo-3H-thieno[3,2-d]pyrimidin-7-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL14875476VELLQUIMGPFOPX-UHFFFAOYSA-Ntert-butyl 4-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-7-yl)piperidine-1-carboxylate1353005-17-0DB-092270
Database identifiers
- PubChem CID
- 136359802
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
1 records
Compound notes
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