Basic information
- CAS
483301-98-0- Standard SMILES
CCOc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)n2CC2CCCO2)cc1- InChIKey
JKPXOQUJKMVODE-UHFFFAOYSA-N- Molecular formula
- C26H33N5O3S
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.23041111
Names & identifiers
- Preferred name
- 2-[[5-[(2,4-dimethylanilino)methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
- IUPAC
- 2-[[5-[(2,4-dimethylanilino)methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
- English name
- 2-{[5-[(2,4-dimethylanilino)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
- Molecular formula
- C26H33N5O3S
- Molecular weight
- 495.63692
Names & synonyms
2-{[5-[(2,4-dimethylanilino)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamideOprea1_3085092-[[5-[(2,4-dimethylanilino)methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamideAG-690/40756165
Database identifiers
- CAS
483301-98-0- PubChem CID
- 5180410
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 650
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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