Basic information
- Standard SMILES
Cn1c(=O)c2c(-c3cccc(F)c3)n3c(c2n(C)c1=O)C(c1ccc(Cl)o1)O[C@@H](CO)C3- InChIKey
QWVLUGULIQRNTG-CRIUFTBBSA-N- Molecular formula
- C22H19ClFN3O5
- Average molar mass
- 459.9 g/mol
Names & identifiers
- Preferred name
- (8R)-10-(5-chlorofuran-2-yl)-5-(3-fluorophenyl)-8-(hydroxymethyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
- IUPAC
- (11R)-13-(5-chlorofuran-2-yl)-8-(3-fluorophenyl)-11-(hydroxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Names & synonyms
SCHEMBL15796343QWVLUGULIQRNTG-CRIUFTBBSA-N(8R)-10-(5-chlorofuran-2-yl)-5-(3-fluorophenyl)-8-(hydroxymethyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
Database identifiers
- PubChem CID
- 86722883
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 761
Related reactions
2 records
Compound notes
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