Basic information
- Standard SMILES
COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(S(=O)(=O)c3ccsc3)CC2)nc1N- InChIKey
YCHFZJDJQVRURP-UHFFFAOYSA-N- Molecular formula
- C21H22FN5O4S2
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- [4-Amino-2-[1-(thiophene-3-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone
- IUPAC
- [4-amino-2-[(1-thiophen-3-ylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
Names & synonyms
SCHEMBL4350446YCHFZJDJQVRURP-UHFFFAOYSA-N[4-Amino-2-[1-(thiophene-3-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 58777610
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 777
Related reactions
3 records
Compound notes
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