3-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid;methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
Basic information
- CAS
108422-37-3- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1.COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1- InChIKey
NKNHUZIFVLOERK-UHFFFAOYSA-N- Molecular formula
- C26H28N10O12S3
- Average molar mass
- 768.8 g/mol
- Monoisotopic mass
- 768.10502989
Names & identifiers
- Preferred name
- 3-[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid;methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
- IUPAC
- 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid;methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
Names & synonyms
108422-37-3DPX-R 9674DTXSID301485453-{[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid--methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate (1/1)
Database identifiers
- CAS
108422-37-3- PubChem CID
- 183979
- DTXSID
DTXSID30148545
Properties
Computed structural properties
- Topological polar surface area
- 346 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 11
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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