Basic information
- CAS
757222-73-4- Standard SMILES
Cc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc(C)c1C- InChIKey
KTOAYECWAMFENR-UHFFFAOYSA-N- Molecular formula
- C19H24N4O4S2
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.12389761
Names & identifiers
- Preferred name
- N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
- IUPAC
- N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
Names & synonyms
N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamideMLS002248424CHEMBL1730937DTXSID301332819HMS3094E20AKOS033935779757222-73-4SMR001315894Z25198560N-[3-(morpholine-4-sulfonyl)phenyl]-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanyl]acetamide
Database identifiers
- CAS
757222-73-4- PubChem CID
- 3909308
- DTXSID
DTXSID301332819- ChEMBL
CHEMBL1730937
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 639
Experimental & physicochemical properties
Solubility29.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…