Basic information
- CAS
587000-55-3- Standard SMILES
COc1ccc(-c2nnc(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)n2N)cc1- InChIKey
PYANDMNKYNQAFG-UHFFFAOYSA-N- Molecular formula
- C24H21N5O4S
- Average molar mass
- 475.5 g/mol
Names & identifiers
- Preferred name
- Acetamide, 2-[[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)-(9CI)
- IUPAC
- 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
- English name
- Acetamide, 2-[[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)- (9CI)
- Molecular formula
- C24H21N5O4S
- Molecular weight
- 475.52
Names & synonyms
587000-55-3Acetamide, 2-[[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)- (9CI)STL342281AKOS002187831ST500833822-((4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-methoxybenzo[3,4- b]benzo[d]furan-3-yl)acetamide2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamideAcetamide, 2-[[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-3-dibenzofuranyl)-
Database identifiers
- CAS
587000-55-3
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 696
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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