Basic information
- Standard SMILES
CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1- InChIKey
NBJUKXMPPGSNOB-UHFFFAOYSA-N- Molecular formula
- C19H19F3N4O3
- Average molar mass
- 408.4 g/mol
Names & identifiers
- Preferred name
- 2-[2-((+)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-fluoro-6-morpholin-4-yl-3H-pyrimidin-4-one
- IUPAC
- 2-[2-(4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-fluoro-4-morpholin-4-yl-1H-pyrimidin-6-one
Names & synonyms
CHEMBL3931890SCHEMBL12475995NBJUKXMPPGSNOB-UHFFFAOYSA-N2-[2-((+)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-5-fluoro-6-morpholin-4-yl-3H-pyrimidin-4-one
Database identifiers
- PubChem CID
- 136378667
- ChEMBL
CHEMBL3931890
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 753
Related reactions
1 records
Compound notes
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