Basic information
- CAS
514219-88-6- Standard SMILES
C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccco1- InChIKey
MPZJDBPCWVNSKW-UHFFFAOYSA-N- Molecular formula
- C19H18N8O2S
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide
- IUPAC
- 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide
- English name
- 2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-furylmethylene)acetohydrazide
- Molecular formula
- C19H18N8O2S
- Molecular weight
- 422.46
Names & synonyms
2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-furylmethylene)acetohydrazideAcetic acid, 2-[[5-(1H-benzotriazol-1-ylmethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-(2-furanylmethylene)hydrazide
Database identifiers
- CAS
514219-88-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 11.6 · 11.60±0.46(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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