Basic information
- CAS
781634-76-2- Standard SMILES
Cn1c(N)c(C(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O- InChIKey
ASVGLZYLPBWBQG-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O5
- Average molar mass
- 400.2 g/mol
- Monoisotopic mass
- 399.038876
Names & identifiers
- Preferred name
- [2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
- IUPAC
- [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
Names & synonyms
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetateMLS002245576CHEMBL1593039DTXSID801325005HMS3076E09AKOS033617402781634-76-2SMR001309225Z184057232-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethyl (3,4-dichlorophenyl)acetate
Database identifiers
- CAS
781634-76-2- PubChem CID
- 2476643
- DTXSID
DTXSID801325005- ChEMBL
CHEMBL1593039
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 666
Experimental & physicochemical properties
Solubility25.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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