4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
Basic information
- CAS
91506-71-7- Standard SMILES
COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1- InChIKey
FESSLFCHRGAANQ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.07251349
Names & identifiers
- Preferred name
- 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
- IUPAC
- 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
- English name
- 4-Methoxy-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
- Molecular formula
- C16H14N2O3S
- Molecular weight
- 314.36
Names & synonyms
91506-71-74-Methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamideDTXSID501325587RefChem:1071032DTXCID0017549954-methoxy-N-(6-methoxybenzo[d]thiazol-2-yl)benzamideCHEMBL1350929Oprea1_238347Oprea1_507513Oprea1_595455SCHEMBL31243MLS001211741
Show more names
Benzamide, 4-methoxy-N-(6-methoxy-2-benzothiazolyl)-
4-Methoxy-N-(6-methoxy-benzothiazol-2-yl)-benzamideFESSLFCHRGAANQ-UHFFFAOYSA-NHMS2834F03KUC108893NBDBM50544460STK020685AKOS000622034EBC-610246
Database identifiers
- CAS
91506-71-7- PubChem CID
- 584682
- DTXSID
DTXSID501325587- ChEMBL
CHEMBL1350929
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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