Basic information
- CAS
20110-78-5- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2ccc(NC(=O)Nc3cccc(S(=O)(=O)F)c3)cc2)n1- InChIKey
HBMYJCCVTWTLKX-UHFFFAOYSA-N- Molecular formula
- C24H19Cl2FN6O4S
- Average molar mass
- 577.4 g/mol
- Monoisotopic mass
- 576.0549578
Names & identifiers
- Preferred name
- 3-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride
- IUPAC
- 3-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
Names & synonyms
20110-78-5NSC159694SCHEMBL14813096DTXSID20329806NSC-1596943-{[(4-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride
Database identifiers
- CAS
20110-78-5- PubChem CID
- 423978
- DTXSID
DTXSID20329806
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 894
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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