Basic information
- Standard SMILES
COc1cccc(Oc2c(NS(=O)(=O)CCc3ccccc3)nc(N3CCOCC3)nc2OCCO)c1- InChIKey
JRZXPQVFVYWQHO-UHFFFAOYSA-N- Molecular formula
- C25H30N4O7S
- Average molar mass
- 530.6 g/mol
Names & identifiers
- Preferred name
- 2Phenyl-ethanesulfonic acid [6-(2-hydroxy-ethoxy)-5-(3-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl]-amide
- IUPAC
- N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
Names & synonyms
JRZXPQVFVYWQHO-UHFFFAOYSA-N2phenyl-ethanesulfonic acid [6-(2-hydroxy-ethoxy)-5-(3-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl]-amide
Database identifiers
- PubChem CID
- 23548264
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 759
Related reactions
2 records
Compound notes
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