4-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-2-(5-phenylpyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl)morpholine
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Basic information
- Standard SMILES
CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cncc(-c5ccccc5)c4)nc3s2)CC1- InChIKey
AIIRVAMJYVIOSH-UHFFFAOYSA-N- Molecular formula
- C27H30N6O3S2
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 550.18208119
Names & identifiers
- Preferred name
- 4-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-2-(5-phenylpyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl)morpholine
- IUPAC
- 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(5-phenyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
Names & synonyms
SCHEMBL1181743AIIRVAMJYVIOSH-UHFFFAOYSA-N4-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-2-(5-phenylpyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl)morpholine
Database identifiers
- PubChem CID
- 24945992
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 871
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Related reactions
4 records
Compound notes
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