Basic information
- CAS
5312-45-8- Standard SMILES
Cc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3C)CCCC4)n2C)c1C- InChIKey
LFJXJMIGQQKKRO-UHFFFAOYSA-N- Molecular formula
- C25H30N4O2S
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.20894739
Names & identifiers
- Preferred name
- N-(2,3-dimethylphenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
- IUPAC
- N-(2,3-dimethylphenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
5312-45-8DTXSID40967648N-(2,3-Dimethylphenyl)-2-[(4-methyl-5-{[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethanimidic acidN-(2,3-Dimethylphenyl)[(4-methyl-5-{[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethanimidic acid
Database identifiers
- CAS
5312-45-8- PubChem CID
- 5202887
- DTXSID
DTXSID40967648
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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