N-Ethoxy-2-({[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboximidic acid
Basic information
- CAS
5948-98-1- Standard SMILES
CCONC(=O)c1csc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)n1- InChIKey
UUORGJARFDMSST-UHFFFAOYSA-N- Molecular formula
- C20H18N6O2S2
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.09326619
Names & identifiers
- Preferred name
- N-Ethoxy-2-({[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboximidic acid
- IUPAC
- N-ethoxy-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
Names & synonyms
DTXSID10974884N-Ethoxy-2-({[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboximidic acid
Database identifiers
- CAS
5948-98-1- PubChem CID
- 5219552
- DTXSID
DTXSID10974884
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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