Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-
Basic information
- CAS
140424-03-9- Standard SMILES
Cc1ccc(-c2csc3nnc(-c4ccc5c(c4)OCO5)n23)cc1- InChIKey
DZGDNVRYWXJYPT-UHFFFAOYSA-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-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
Names & synonyms
BRN 4883151140424-03-9Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)thiazolo(2,3-c)-1,2,4-triazoleDTXSID00161387RefChem:384793DTXCID60838783-(2H-1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole
Database identifiers
- CAS
140424-03-9- PubChem CID
- 3072115
- DTXSID
DTXSID00161387- Nikkaji
- J455.240G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…