Basic information
- Standard SMILES
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)c2cc3c(cc2C)OC(C(=O)OCC)O3)cc1- InChIKey
OYOJQIVOEHGEPB-UHFFFAOYSA-N- Molecular formula
- C24H29NO7S
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- 5-[4-(Dipropylsulfamoyl)-benzoyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-[4-(dipropylsulfamoyl)benzoyl]-6-methyl-1,3-benzodioxole-2-carboxylate
Names & synonyms
SCHEMBL11003641OYOJQIVOEHGEPB-UHFFFAOYSA-N5-[4-(dipropylsulfamoyl)-benzoyl]-6-methyl- 1,3-benzodioxole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 54176239
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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