Basic information
- Standard SMILES
CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)NS(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)O)c(C)c1Cl- InChIKey
WWCVOVRNHXTUCO-UHFFFAOYSA-N- Molecular formula
- C31H33ClN4O6S
- Average molar mass
- 625.1 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-5-(naphthalen-2-ylsulfonylcarbamoyl)benzoic acid
- IUPAC
- 2-[4-chloro-3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-5-(naphthalen-2-ylsulfonylcarbamoyl)benzoic acid
Names & synonyms
SCHEMBL14061002WWCVOVRNHXTUCO-UHFFFAOYSA-N2-(4-Chloro-3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-5-(naphthalen-2-ylsulfonylcarbamoyl)benzoic acid
Database identifiers
- PubChem CID
- 71062145
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
14 records
Compound notes
Loading…