Basic information
- Standard SMILES
COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C- InChIKey
YNURDJJKPNZLMH-UHFFFAOYSA-N- Molecular formula
- C20H18F3N5O3S
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.10824511
Names & identifiers
- Preferred name
- 1-Methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzo-imidazole-5-carboxylic acid (2-methoxy-ethyl)-amide
- IUPAC
- N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
Names & synonyms
1-Methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzo-imidazole-5-carboxylic acid (2-methoxy-ethyl)-amideSCHEMBL2243623SCHEMBL29602680
Database identifiers
- PubChem CID
- 57412069
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 660
Related reactions
1 records
Compound notes
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