Basic information
- Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C#N)c2)nc1OC- InChIKey
TZGPRVZHYJHRJM-UHFFFAOYSA-N- Molecular formula
- C24H20N6O5S
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.12158893
Names & identifiers
- Preferred name
- 5-Methyl-pyridine-2-sulfonic acid [2-(2-cyano-pyridin-4-yl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
- IUPAC
- N-[2-(2-cyano-4-pyridinyl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
Names & synonyms
SCHEMBL5036498TZGPRVZHYJHRJM-UHFFFAOYSA-NL0198915-methyl-pyridine-2-sulfonic acid [2-(2-cyano-pyridin-4-yl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
Database identifiers
- PubChem CID
- 9935894
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 863
Related reactions
5 records
Linked notes
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