Basic information
- Standard SMILES
O=C(NC(C(=O)O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12- InChIKey
LRTZXPIGDJRNRT-UHFFFAOYSA-N- Molecular formula
- C28H19Cl3N4O5S2
- Average molar mass
- 662 g/mol
- Monoisotopic mass
- 659.986245
Names & identifiers
- Preferred name
- 2-[[2-(2,1,3-Benzothiadiazol-4-ylsulfonylamino)-4-chlorobenzoyl]amino]-3,3-bis(4-chlorophenyl)propanoic acid
- IUPAC
- 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chlorobenzoyl]amino]-3,3-bis(4-chlorophenyl)propanoic acid
Names & synonyms
SCHEMBL3750866
Database identifiers
- PubChem CID
- 68772436
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
1 records
Compound notes
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