Basic information
- CAS
23572-73-8- Standard SMILES
Nc1nc(=O)n(CCCOc2ccccc2)cc1-c1ccc(NC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1- InChIKey
JDUOYOJUQKXCGL-UHFFFAOYSA-N- Molecular formula
- C26H24FN5O5S
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.14821822
Names & identifiers
- Preferred name
- 3-[[4-[4-Amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride
- IUPAC
- 3-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluoride
Names & synonyms
23572-73-8NSC2113123-[[4-[4-amino-2-oxo-1-(3-phenoxypropyl)pyrimidin-5-yl]phenyl]carbamoylamino]benzenesulfonyl fluorideDTXSID30309199NSC-2113123-[({4-[4-Amino-2-oxo-1-(3-phenoxypropyl)-1,2-dihydropyrimidin-5-yl]phenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
23572-73-8- PubChem CID
- 309142
- DTXSID
DTXSID30309199
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…