Basic information
- Standard SMILES
Cc1ccc(C(=O)NC[C@H](O)CO)cc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Br)c1=O- InChIKey
ZLWAOUCVQPGPAR-KRWDZBQOSA-N- Molecular formula
- C23H22BrF2N3O5
- Average molar mass
- 538.3 g/mol
- Monoisotopic mass
- 537.07109
Names & identifiers
- Preferred name
- (+/-) 3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-N-[(2S)-2,3-dihydroxypropyl]-4-methylbenzamide
- IUPAC
- 3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-N-[(2S)-2,3-dihydroxypropyl]-4-methylbenzamide
Names & synonyms
SCHEMBL3518468ZLWAOUCVQPGPAR-KRWDZBQOSA-N(+/-) 3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-N-[(2S)-2,3-dihydroxypropyl]-4-methylbenzamide(+/-)3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-N-[(2S)-2,3-dihydroxypropyl]-4-methylbenzamide
Database identifiers
- PubChem CID
- 21088992
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 826
Related reactions
2 records
Compound notes
Loading…