Basic information
- CAS
87202-59-3- Standard SMILES
CCCCCCCCCCC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)OCC- InChIKey
WKVOECQBWDOIBJ-UHFFFAOYSA-N- Molecular formula
- C17H29N3O4S
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.18787759
Names & identifiers
- Preferred name
- Ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate
- IUPAC
- ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]dodecanoate
Names & synonyms
NSC31961987202-59-3DTXSID00317640NSC-319619ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]dodecanoate
Database identifiers
- CAS
87202-59-3- PubChem CID
- 330558
- DTXSID
DTXSID00317640- Nikkaji
- J1.165.856C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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