1-[2-[[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-1,4-diazaspiro[5.5]undecane-3,5-dione
Basic information
- CAS
924376-12-5- Standard SMILES
Cc1ccccc1-n1cnnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2- InChIKey
OAZNEQDSZQMZFZ-UHFFFAOYSA-N- Molecular formula
- C20H23N5O3S
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.15216079
Names & identifiers
- Preferred name
- 1-[2-[[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-1,4-diazaspiro[5.5]undecane-3,5-dione
- IUPAC
- 1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,4-diazaspiro[5.5]undecane-3,5-dione
Names & synonyms
DTXSID601114852AKOS0334089351-[2-[[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-1,4-diazaspiro[5.5]undecane-3,5-dione924376-12-5Z1537568201-({[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
Database identifiers
- CAS
924376-12-5- PubChem CID
- 17552467
- DTXSID
DTXSID601114852
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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