5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-
Basic information
- CAS
125766-46-3- Standard SMILES
CCOc1c(OC)cc(-c2nn3c(=O)n(-c4ccc(C)cc4)c(=O)nc3s2)cc1OC- InChIKey
QFEOIAFRDYVTEY-UHFFFAOYSA-N- Molecular formula
- C21H20N4O5S
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.11544092
Names & identifiers
- Preferred name
- 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-
- IUPAC
- 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Names & synonyms
BRN 6015556125766-46-35H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-DTXSID70154882RefChem:305149DTXCID30773732-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione
Database identifiers
- CAS
125766-46-3- PubChem CID
- 3079461
- DTXSID
DTXSID70154882
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 753
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Compound notes
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