Basic information
- Standard SMILES
CC(C)(O)C1CCC(Nc2nccc(-n3ccc4c(OCCCS(C)(=O)=O)cccc43)n2)CC1- InChIKey
LZFPDJIWDHUHJG-UHFFFAOYSA-N- Molecular formula
- C25H34N4O4S
- Average molar mass
- 486.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-{4-[4-(3-Methanesulfonyl-propoxy)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexyl)-propan-2-ol
- IUPAC
- 2-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]propan-2-ol
Names & synonyms
SCHEMBL5094260CHEMBL2425634SCHEMBL14175852LZFPDJIWDHUHJG-UHFFFAOYSA-N2-(4-{4-[4-(3-methanesulfonyl-propoxy)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexyl)-propan-2-ol
Database identifiers
- PubChem CID
- 59743571
- ChEMBL
CHEMBL2425634
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 751
Related reactions
2 records
Compound notes
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