N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-hexyl-oxalamide
Basic information
- CAS
333760-07-9- Standard SMILES
CCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1- InChIKey
SXOFXMSWTIOORC-UHFFFAOYSA-N- Molecular formula
- C21H31N3O2S
- Average molar mass
- 389.6 g/mol
- Monoisotopic mass
- 389.21369841
Names & identifiers
- Preferred name
- N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-hexyl-oxalamide
- IUPAC
- N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-hexyloxamide
- English name
- N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-hexyloxamide
- Molecular formula
- C21H31N3O2S
- Molecular weight
- 389.55
Names & synonyms
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-hexyl-oxalamideSTK835147AKOS000624672ST50243163N-(4-adamantanyl(1,3-thiazol-2-yl))-N'-hexylethane-1,2-diamideN1-(4-((3r,5r,7r)-adamantan-1-yl)thiazol-2-yl)-N2-hexyloxalamideN-hexyl-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-hexyloxamideEthanediamide, N1-hexyl-N2-(4-tricyclo[3.3.1.13,7]dec-1-yl-2-thiazolyl)-
Database identifiers
- CAS
333760-07-9- PubChem CID
- 3122882
- EC Number
- 153-540-5
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 5.38 · 5.38±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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