2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
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Basic information
- CAS
900473-82-7- Standard SMILES
COc1ccc(-c2csc3nc(CNc4ccc(Br)cc4)[nH]c(=O)c23)cc1- InChIKey
ANSYNTCWICXSDP-UHFFFAOYSA-N- Molecular formula
- C20H16BrN3O2S
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.01466
Names & identifiers
- Preferred name
- 2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
- English name
- 2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C20H16BrN3O2S
- Molecular weight
- 442.32894
Names & synonyms
2-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-oneAR-434/428078582-[(4-bromoanilino)methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Database identifiers
- CAS
900473-82-7- PubChem CID
- 16044695
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
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Compound notes
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