Basic information
- CAS
577990-20-6- Standard SMILES
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1N- InChIKey
DBPWFRZRJHJJSX-UHFFFAOYSA-N- Molecular formula
- C19H20N6O3S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.13175969
Names & identifiers
- Preferred name
- N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
- IUPAC
- N-(4-acetamidophenyl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide577990-20-6STL340797AKOS002188868ST50084324N-(4-acetamidophenyl)-2-((4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-methoxyphenyl)(1,2,4-triazol-3-ylthi o)]acetamide
Database identifiers
- CAS
577990-20-6- PubChem CID
- 3674569
- EC Number
- 142-872-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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