Basic information
- Standard SMILES
NC(=O)c1ccc(-c2cccc(Cn3c(=O)n(O)c(=O)c4sccc43)c2)cc1- InChIKey
VQEJSOSSYFEKGH-UHFFFAOYSA-N- Molecular formula
- C20H15N3O4S
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- Fen1-IN-2
- IUPAC
- 4-[3-[(3-hydroxy-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)methyl]phenyl]benzamide
Names & synonyms
FEN1-IN-2824983-94-03'-((3-Hydroxy-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)methyl)-[1,1'-biphenyl]-4-carboxamideCHEMBL181962FEN1-IN-C20orb1690235SCHEMBL1890009VQEJSOSSYFEKGH-UHFFFAOYSA-NBDBM50157851AKOS040758371DA-73323HY-122695
Show more names
CS-0088411H37797T409314-[3-[(3-hydroxy-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)methyl]phenyl]benzamide3''''-(3-Hydroxy-2,4-dioxo-3,4-dihydro-2H-thieno[3,2-d]pyrimidin-1-ylmethyl)-biphenyl-4-carboxylic acid amide3'-(3-Hydroxy-2,4-dioxo-3,4-dihydro-2H-thieno[3,2-d]pyrimidin-1-ylmethyl)-biphenyl-4-carboxylic acid amide
Database identifiers
- PubChem CID
- 11654052
- ChEMBL
CHEMBL181962
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
Loading…