Basic information
- CAS
354795-78-1- Standard SMILES
CCc1cc2c(=O)n(-c3ccc(Cl)cc3)c(SCC(=O)Nc3ccccc3)nc2s1- InChIKey
HGBJJKVAERXIDT-UHFFFAOYSA-N- Molecular formula
- C22H18ClN3O2S2
- Average molar mass
- 456 g/mol
Names & identifiers
- Preferred name
- 2-[3-(4-chlorophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
- IUPAC
- 2-[3-(4-chlorophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
- English name
- 2-{[3-(4-chlorophenyl)-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
- Molecular formula
- C22H18ClN3O2S2
- Molecular weight
- 455.98022
Names & synonyms
2-{[3-(4-chlorophenyl)-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamideAO-364/373570972-[3-(4-chlorophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
Database identifiers
- CAS
354795-78-1
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 663
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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