Basic information
- Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)ncnc1OCC#CCO- InChIKey
WITCSGJQNAEGBT-UHFFFAOYSA-N- Molecular formula
- C23H24N4O6S
- Average molar mass
- 484.5 g/mol
Names & identifiers
- Preferred name
- 5-isopropyl-N-[6-(4-hydroxy-2-butynyloxy)-5-(o-methoxyphenoxy)-4-pyrimidinyl]-2-pyridine sulfonamide
- IUPAC
- N-[6-(4-hydroxybut-2-ynoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
Names & synonyms
CHEMBL170342SCHEMBL6780058WITCSGJQNAEGBT-UHFFFAOYSA-NBDBM501244905-isopropyl-N-[6-(4-hydroxy-2-butynyloxy)-5-(o-methoxyphenoxy)-4-pyrimidinyl]-2-pyridine sulfonamide5-isopropyl-N-[6-(4-hydroxy-2-butynyloxy)-5-(o-methoxyphenoxy)4-pyrimidinyl]-2-pyridine sulfonamide5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy-but-2-ynyloxy)-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
Database identifiers
- PubChem CID
- 10140871
- ChEMBL
CHEMBL170342- Nikkaji
- J2.007.519H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 792
Related reactions
3 records
Compound notes
Loading…