2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide
Basic information
- CAS
1001611-13-7- Standard SMILES
C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1N- InChIKey
ODBUTYSOOJSCFZ-UHFFFAOYSA-N- Molecular formula
- C16H20ClN5OS
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.1077091
Names & identifiers
- Preferred name
- 2-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide
- IUPAC
- 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
Names & synonyms
DTXSID501112184AKOS0169898401001611-13-72-[[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide2-{[4-Amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
Database identifiers
- CAS
1001611-13-7- PubChem CID
- 7184052
- DTXSID
DTXSID501112184
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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