N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-decyl-oxalamide
Basic information
- CAS
333760-13-7- Standard SMILES
CCCCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1- InChIKey
WDZSLALZWSXTBV-UHFFFAOYSA-N- Molecular formula
- C25H39N3O2S
- Average molar mass
- 445.7 g/mol
- Monoisotopic mass
- 445.27629867
Names & identifiers
- Preferred name
- N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-decyl-oxalamide
- IUPAC
- N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-decyloxamide
- English name
- N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-decyloxamide
- Molecular formula
- C25H39N3O2S
- Molecular weight
- 445.66
Names & synonyms
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-decyl-oxalamideSTK528720AKOS005461720N1-(4-((3r,5r,7r)-adamantan-1-yl)thiazol-2-yl)-N2-decyloxalamideN-decyl-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamideN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-decyloxamideEthanediamide, N1-decyl-N2-(4-tricyclo[3.3.1.13,7]dec-1-yl-2-thiazolyl)-
Database identifiers
- CAS
333760-13-7- PubChem CID
- 3122886
- EC Number
- 153-585-0
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 5.36 · 5.36±0.70(Predicted)
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Compound notes
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