Basic information
- CAS
299164-58-2- Standard SMILES
Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C(=O)O)cc3)sc2c1- InChIKey
JJQPXZDWOBGYJV-UHFFFAOYSA-N- Molecular formula
- C22H16N2O3S
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.08816355
Names & identifiers
- Preferred name
- 2-((4-(6-Methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)benzoic acid
- IUPAC
- 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]benzoic acid
- English name
- 2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)benzoic acid
- Molecular formula
- C22H16N2O3S
- Molecular weight
- 388.44
Names & synonyms
299164-58-22-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)benzoic acid2-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}benzoic acidN-[4-(6-Methyl-benzothiazol-2-yl)-phenyl]-phthalamic acid2-[[4-(6-Methylbenzo[d]thiazol-2-yl)phenyl]carbamoyl]benzoic acid2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]benzoic acidSCHEMBL2252511DTXSID701169593STK025957AKOS000484094EBC-873395WAY-270502
Show more names
Benzoic acid, 2-[[[4-(6-methyl-2-benzothiazolyl)phenyl]amino]carbonyl]-2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}carbonyl)benzoic acid
CS-0323739AG-205/07938026SR-01000416434SR-01000416434-1Z55165175F0777-06342-{[4-(6-Methyl-1,3-benzothiazol-2-yl)anilino]carbonyl}benzoic acid
Database identifiers
- CAS
299164-58-2- PubChem CID
- 1069188
- DTXSID
DTXSID701169593
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.36(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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