N-(4-cyanophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
Basic information
- CAS
1105196-84-6- Standard SMILES
Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2c(-c3ccccc3)csc2c1=O- InChIKey
UBURHPLWJMIAMQ-UHFFFAOYSA-N- Molecular formula
- C22H16N4O2S2
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.07146811
Names & identifiers
- Preferred name
- N-(4-cyanophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
- IUPAC
- N-(4-cyanophenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
Names & synonyms
1105196-84-6N-(4-Cyanophenyl)-2-[(3,4-dihydro-3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)thio]acetamideN-(4-cyanophenyl)-2-((3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamideN-(4-Cyanophenyl)-2-[(3-methyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamideDTXSID101114176AKOS001986673F3382-8089N-(4-cyanophenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamideN-(4-cyanophenyl)-2-({3-methyl-4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Database identifiers
- CAS
1105196-84-6- PubChem CID
- 30850197
- DTXSID
DTXSID101114176
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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