4-Methyl-2-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione
Basic information
- CAS
80987-78-6- Standard SMILES
COc1cc(-c2nn(CN3CCOCC3)c(=S)n2C)cc(OC)c1OC- InChIKey
LJIXJEMXMLLFHA-UHFFFAOYSA-N- Molecular formula
- C17H24N4O4S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.15182643
Names & identifiers
- Preferred name
- 4-Methyl-2-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione
- IUPAC
- 4-methyl-2-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thione
Names & synonyms
80987-78-6NSC3575794-methyl-2-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thioneDTXSID30320304NSC-3575794-Methyl-2-[(morpholin-4-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
80987-78-6- PubChem CID
- 337833
- DTXSID
DTXSID30320304
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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