Basic information
- Standard SMILES
COC(=O)c1sccc1S(=O)(=O)N1CCC(Nc2ncc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1- InChIKey
RCRXKYYHHOHHKM-UHFFFAOYSA-N- Molecular formula
- C23H24FN5O6S2
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.11520401
Names & identifiers
- Preferred name
- 3-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonyl]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
Names & synonyms
SCHEMBL4358704RCRXKYYHHOHHKM-UHFFFAOYSA-N3-[4-[4-Amino-5-(5-fluoro-2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-sulfonyl]-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58777631
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 916
Related reactions
3 records
Compound notes
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