[6-(4,4-Dimethylcyclohexyl)-2-methylthieno[2,3-d]pyrimidin-4-yl](4-hydroxy-4-methylpiperidin-1-yl)methanone
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Basic information
- Standard SMILES
Cc1nc(C(=O)N2CCC(C)(O)CC2)c2cc(C3CCC(C)(C)CC3)sc2n1- InChIKey
QOPDNDJHJZDURV-UHFFFAOYSA-N- Molecular formula
- C22H31N3O2S
- Average molar mass
- 401.6 g/mol
- Monoisotopic mass
- 401.21369841
Names & identifiers
- Preferred name
- [6-(4,4-Dimethylcyclohexyl)-2-methylthieno[2,3-d]pyrimidin-4-yl](4-hydroxy-4-methylpiperidin-1-yl)methanone
- IUPAC
- [6-(4,4-dimethylcyclohexyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
Names & synonyms
SCHEMBL16653428QOPDNDJHJZDURV-UHFFFAOYSA-N[6-(4,4-dimethylcyclohexyl)-2-methylthieno[2,3-d]pyrimidin-4-yl](4-hydroxy-4-methylpiperidin-1-yl)methanone
Database identifiers
- PubChem CID
- 118024018
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 580
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Related reactions
1 records
Compound notes
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