Basic information
- Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCO- InChIKey
NNMYSWDMFGDXOF-UHFFFAOYSA-N- Molecular formula
- C27H29N5O6S
- Average molar mass
- 551.6 g/mol
Names & identifiers
- Preferred name
- 4-i-Propyl-phenyl sulfamic acid-[6-(2-hydroxy-ethoxy)-5-(o-methoxyphenoxy)-2-(4-pyridyl)-pyrimidin-4-yl]-amide
- IUPAC
- 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol
Names & synonyms
SCHEMBL5631093NNMYSWDMFGDXOF-UHFFFAOYSA-N4-i-propyl-phenyl sulfamic acid-[6-(2-hydroxy-ethoxy)-5-(o-methoxyphenoxy)-2-(4-pyridyl)-pyrimidin-4-yl]-amide
Database identifiers
- PubChem CID
- 10302811
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 816
Related reactions
12 records
Compound notes
Loading…