Basic information
- Standard SMILES
O=C(O)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1- InChIKey
ORZZNUXNGOAYHT-UHFFFAOYSA-N- Molecular formula
- C23H28N4O5S
- Average molar mass
- 472.6 g/mol
Names & identifiers
- Preferred name
- 4-{1-[5-oxo-4-(tetrahydropyran-4-ylamino)-6,7-dihydro-5H-5lambda4-thieno[3,2-d]pyrimidin-2-yl]-piperidin-4-yloxy}-benzoic acid
- IUPAC
- 4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzoic acid
Names & synonyms
SCHEMBL557917ORZZNUXNGOAYHT-UHFFFAOYSA-N4-{1-[5-oxo-4-(tetrahydropyran-4-ylamino)-6,7-dihydro-5H-5lambda4-thieno[3,2-d]pyrimidin-2-yl]-piperidin-4-yloxy}-benzoic acid
Database identifiers
- PubChem CID
- 46912845
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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