Basic information
- CAS
1180133-54-3- Standard SMILES
Cc1occc1-c1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1N- InChIKey
DTLVOVCIZYNBNQ-UHFFFAOYSA-N- Molecular formula
- C21H27N5O2S
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.18854629
Names & identifiers
- Preferred name
- 2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
- IUPAC
- 2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
Names & synonyms
DTXSID801110999AKOS0083893831180133-54-32-[[4-Amino-5-(2-methyl-3-furanyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2,6-bis(1-methylethyl)phenyl]acetamide
Database identifiers
- CAS
1180133-54-3- PubChem CID
- 29338291
- DTXSID
DTXSID801110999
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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