Basic information
- CAS
483301-96-8- Standard SMILES
Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)n2CC2CCCO2)cc1- InChIKey
SMNKDTZKGJBGDF-UHFFFAOYSA-N- Molecular formula
- C25H31N5O2S
- Average molar mass
- 465.6 g/mol
Names & identifiers
- Preferred name
- 2-{[5-[(2,4-dimethylanilino)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
- IUPAC
- 2-[[5-[(2,4-dimethylanilino)methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
- English name
- 2-{[5-[(2,4-dimethylanilino)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
- Molecular formula
- C25H31N5O2S
- Molecular weight
- 465.61094
Names & synonyms
Oprea1_263903AKOS000565854AKOS030485203AG-690/407561642-{[5-[(2,4-dimethylanilino)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Database identifiers
- CAS
483301-96-8
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 618
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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