Basic information
- Standard SMILES
CCON=C(Cn1c(=O)c2cc(CC)sc2n(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c1=O)c1ccc(OC)cc1- InChIKey
QYBGISLPLBTTSB-UHFFFAOYSA-N- Molecular formula
- C34H31N5O6S
- Average molar mass
- 637.7 g/mol
- Monoisotopic mass
- 637.1995049
Names & identifiers
- Preferred name
- 3-[2-(ethoxyimino)-2-(4-methoxyphenyl)ethyl]-6-ethyl-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 3-[2-ethoxyimino-2-(4-methoxyphenyl)ethyl]-6-ethyl-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL2774839QYBGISLPLBTTSB-UHFFFAOYSA-N3-[2-(ethoxyimino)-2-(4-methoxyphenyl)ethyl]-6-ethyl-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 136348343
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
2 records
Compound notes
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