Basic information
- Standard SMILES
O=C1CN(c2ccc(CCCCNC(=O)c3ccccc3C(=O)O)cc2O)S(=O)(=O)N1- InChIKey
VDVNVRCTKMVUSF-UHFFFAOYSA-N- Molecular formula
- C20H21N3O7S
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- N-{4-[3-Hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-butyl}-phthalamic Acid
- IUPAC
- 2-[4-[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]butylcarbamoyl]benzoic acid
Names & synonyms
SCHEMBL3214343VDVNVRCTKMVUSF-UHFFFAOYSA-NN-{4-[3-Hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-butyl}-phthalamic Acid
Database identifiers
- PubChem CID
- 57777344
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 782
Related reactions
1 records
Compound notes
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