3-(2-Methylphenyl)-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
Basic information
- CAS
667884-76-6- Standard SMILES
Cc1ccccc1-n1c(SC(C)C)nc2sc(-c3ccccc3)cc2c1=O- InChIKey
ATDHIADTPKHAMA-UHFFFAOYSA-N- Molecular formula
- C22H20N2OS2
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-Methylphenyl)-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
- IUPAC
- 3-(2-methylphenyl)-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
- English name
- 2-(isopropylsulfanyl)-3-(2-methylphenyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C22H20N2OS2
- Molecular weight
- 392.537
Names & synonyms
2-(isopropylsulfanyl)-3-(2-methylphenyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one3-(2-methylphenyl)-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-oneAO-476/42169365
Database identifiers
- CAS
667884-76-6
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 573
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Compound notes
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