Basic information
- CAS
606111-49-3- Standard SMILES
CCCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccco1- InChIKey
QWJZNVRFIOBTDO-UHFFFAOYSA-N- Molecular formula
- C19H19N5O2S2
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- N-(1,3-benzothiazol-2-yl)-2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- IUPAC
- N-(1,3-benzothiazol-2-yl)-2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- Acetamide, N-2-benzothiazolyl-2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI)
- Molecular formula
- C19H19N5O2S2
- Molecular weight
- 413.52
Names & synonyms
606111-49-3Oprea1_725870AKOS000696526Acetamide, N-2-benzothiazolyl-2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-Acetamide, N-2-benzothiazolyl-2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI)
Database identifiers
- CAS
606111-49-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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