Basic information
- CAS
333760-25-1- Standard SMILES
O=C(NCc1ccccc1Cl)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1- InChIKey
ZLAYBMMXYXTYLY-UHFFFAOYSA-N- Molecular formula
- C22H24ClN3O2S
- Average molar mass
- 430 g/mol
- Monoisotopic mass
- 429.1277759
Names & identifiers
- Preferred name
- N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-(2-chloro-benzyl)-oxalamide
- IUPAC
- N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[(2-chlorophenyl)methyl]oxamide
Names & synonyms
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-(2-chloro-benzyl)-oxalamideSTK529011AKOS005461933N1-(4-((3r,5r,7r)-adamantan-1-yl)thiazol-2-yl)-N2-(2-chlorobenzyl)oxalamideN-(2-chlorobenzyl)-N'-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]ethanediamide
Database identifiers
- CAS
333760-25-1- PubChem CID
- 3122889
- EC Number
- 153-443-8
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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