5-(3-butoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
620117-64-8- Standard SMILES
CCCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nnc(C)s2)c1- InChIKey
XMNYSDBTSFDAPN-UHFFFAOYSA-N- Molecular formula
- C23H23N3O5S
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.13584202
Names & identifiers
- Preferred name
- 5-(3-butoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Names & synonyms
620117-64-85-(3-butoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-oneCHEMBL1580198DTXSID501322507HMS2997B14STK800127AKOS002222836AKOS016076272AF-399/42048265Z577867245-(3-Butoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Show more names
5-(3-butoxyphenyl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
620117-64-8- PubChem CID
- 4368409
- DTXSID
DTXSID501322507- ChEMBL
CHEMBL1580198
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 747
Experimental & physicochemical properties
Solubility51 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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