N,Na(2),Na(2)a(2)-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl]tris[3,5-dimethyl-1H-pyrazole-1-carboxamide]
Basic information
- CAS
154031-76-2- Standard SMILES
Cc1cc(C)n(C(=O)NCCCCCCn2c(=O)n(CCCCCCNC(=O)n3nc(C)cc3C)c(=O)n(CCCCCCNC(=O)n3nc(C)cc3C)c2=O)n1- InChIKey
DXNDCNJBRDXCAI-UHFFFAOYSA-N- Molecular formula
- C39H60N12O6
- Average molar mass
- 793 g/mol
- Monoisotopic mass
- 792.47587768
Overview
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Names & identifiers
- Preferred name
- N,Na(2),Na(2)a(2)-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl]tris[3,5-dimethyl-1H-pyrazole-1-carboxamide]
- IUPAC
- N-[6-[3,5-bis[6-[(3,5-dimethylpyrazole-1-carbonyl)amino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]-3,5-dimethylpyrazole-1-carboxamide
Names & synonyms
SCHEMBL15386147DTXSID401103895154031-76-2N,Na(2),Na(2)a(2)-[(2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-6,1-hexanediyl]tris[3,5-dimethyl-1H-pyrazole-1-carboxamide]
Database identifiers
- CAS
154031-76-2- PubChem CID
- 89902807
- DTXSID
DTXSID401103895
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 21
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,180
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Compound notes
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