Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((2-methoxyphenyl)methylene)-3-phenyl-
Basic information
- CAS
95356-84-6- Standard SMILES
COc1ccccc1/C=c1/sc2nnc(-c3ccccc3)n2c1=O- InChIKey
CTPNSKRGCSPDNO-RVDMUPIBSA-N- Molecular formula
- C18H13N3O2S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.07284784
Names & identifiers
- Preferred name
- Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((2-methoxyphenyl)methylene)-3-phenyl-
- IUPAC
- (6E)-6-[(2-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Names & synonyms
95356-84-6Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((2-methoxyphenyl)methylene)-3-phenyl-RefChem:1099915BRN 56086886-((2-Methoxyphenyl)methylene)-3-phenylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-oneAKOS000351719
Database identifiers
- CAS
95356-84-6- PubChem CID
- 20111322
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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