Basic information
- Standard SMILES
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(=O)(=O)CCCNC(CCO)CCO)CC2)nc1N- InChIKey
SJTPYAGWOWGOBE-UHFFFAOYSA-N- Molecular formula
- C25H36F2N6O6S
- Average molar mass
- 586.7 g/mol
- Monoisotopic mass
- 586.23851039
Names & identifiers
- Preferred name
- [4-Amino-2-(1-[3-[3-hydroxy-1-(2-hydroxy-ethyl)-propylamino]-propane-1-sulfonyl]-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone
- IUPAC
- [4-amino-2-[[1-[3-(1,5-dihydroxypentan-3-ylamino)propylsulfonyl]piperidin-4-yl]amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
Names & synonyms
SCHEMBL4355832SJTPYAGWOWGOBE-UHFFFAOYSA-N[4-Amino-2-(1-[3-[3-hydroxy-1-(2-hydroxy-ethyl)-propylamino]-propane-1-sulfonyl]-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone[4-Amino-2-(1-[3-[3-hydroxy-1-(2-hydroxy-ethyl)-propylamino]-propane-1sulfonyl]-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 58777629
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 872
Related reactions
3 records
Compound notes
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