Methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoate
Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(=O)NCc1nc(C)nc(OC)n1- InChIKey
YYAVDVIWOQBFAP-UHFFFAOYSA-N- Molecular formula
- C15H17N5O6S
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.08995445
Names & identifiers
- Preferred name
- Methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoate
- IUPAC
- methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoate
Names & synonyms
methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoylsulfamoyl]benzoateSCHEMBL1526671DTXSID001339585methyl 2-(N-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylcarbamoyl)sulfamoyl)benzoate
Database identifiers
- PubChem CID
- 58206
- DTXSID
DTXSID001339585
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 625
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Related reactions
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Compound notes
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