Basic information
- Standard SMILES
CCCCCCCn1nc(NCCc2cccc(OC(C)(C)C(=O)OCC)c2)c(=O)n(C)c1=O- InChIKey
NOJMHFASRURCAK-UHFFFAOYSA-N- Molecular formula
- C25H38N4O5
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.28422033
Names & identifiers
- Preferred name
- Ethyl 2-{3-[2-(2-heptyl-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-ethyl]-phenoxy}-2-methyl-propionate
- IUPAC
- ethyl 2-[3-[2-[(2-heptyl-4-methyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]phenoxy]-2-methylpropanoate
Names & synonyms
SCHEMBL3288346NOJMHFASRURCAK-UHFFFAOYSA-NEthyl 2-{3-[2-(2-heptyl-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-ylamino)-ethyl]-phenoxy}-2-methyl-propionate
Database identifiers
- PubChem CID
- 11856485
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 724
Related reactions
2 records
Compound notes
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