Basic information
- CAS
570418-73-4- Standard SMILES
C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cccc(OC)c1- InChIKey
MRRNVPPCBBLDOW-UHFFFAOYSA-N- Molecular formula
- C22H23IN6O2S
- Average molar mass
- 562.4 g/mol
Names & identifiers
- Preferred name
- 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methylideneamino]acetamide
- IUPAC
- 2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methylideneamino]acetamide
- English name
- 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(3-methoxybenzylidene)acetohydrazide
- Molecular formula
- C22H23IN6O2S
- Molecular weight
- 562.43
Names & synonyms
2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(3-methoxybenzylidene)acetohydrazide
Database identifiers
- CAS
570418-73-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Density
- 1.523 · 1.523±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.675 · 11.675±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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