Ethyl 6-[[(2-fluorophenyl)thio]methyl]-1,2,3,4-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylate
Basic information
- CAS
1008660-95-4- Standard SMILES
CCOC(=O)C1=C(CSc2ccccc2F)NC(=O)NC1C- InChIKey
GJCLVMNUJOTZLI-UHFFFAOYSA-N- Molecular formula
- C15H17FN2O3S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09439174
Names & identifiers
- Preferred name
- Ethyl 6-[[(2-fluorophenyl)thio]methyl]-1,2,3,4-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylate
- IUPAC
- ethyl 6-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
DTXSID701116720AKOS0083310651008660-95-4Ethyl 6-[[(2-fluorophenyl)thio]methyl]-1,2,3,4-tetrahydro-4-methyl-2-oxo-5-pyrimidinecarboxylateEthyl 6-{[(2-fluorophenyl)sulfanyl]methyl}-4-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Database identifiers
- CAS
1008660-95-4- PubChem CID
- 51139756
- DTXSID
DTXSID701116720
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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