Basic information
- Standard SMILES
CCOC(=O)c1cc(-n2c(=O)ccn(C)c2=O)ccc1Cl- InChIKey
LSKFHXNFYKGYMO-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O4
- Average molar mass
- 308.71 g/mol
Names & identifiers
- Preferred name
- ethyl 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-benzoate
- IUPAC
- ethyl 2-chloro-5-(3-methyl-2,6-dioxopyrimidin-1-yl)benzoate
Names & synonyms
SCHEMBL10650710LSKFHXNFYKGYMO-UHFFFAOYSA-Nethyl 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-benzoate
Database identifiers
- PubChem CID
- 20130712
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 480
Related reactions
3 records
Compound notes
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