N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[1-(1H-1,2,3,4-tetraazol-1-ylmethyl)cyclohexyl]acetamide
Basic information
- CAS
1401573-35-0- Standard SMILES
O=C(CC1(Cn2cnnn2)CCCCC1)NCCc1nc(-c2ccccc2)cs1- InChIKey
XNRLIRQOBWKDGQ-UHFFFAOYSA-N- Molecular formula
- C21H26N6OS
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[1-(1H-1,2,3,4-tetraazol-1-ylmethyl)cyclohexyl]acetamide
- IUPAC
- N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
- English name
- N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
- Molecular formula
- C21H26N6OS
- Molecular weight
- 410.54
Names & synonyms
1401573-35-0N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[1-(1H-1,2,3,4-tetraazol-1-ylmethyl)cyclohexyl]acetamideEiM08-27207STL250450AKOS0163986232-(1-((1H-tetrazol-1-yl)methyl)cyclohexyl)-N-(2-(4-phenylthiazol-2-yl)ethyl)acetamideN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamideN-[2-(4-PHENYL-1,3-THIAZOL-2-YL)ETHYL]-2-{1-[(1H-1,2,3,4-TETRAZOL-1-YL)METHYL]CYCLOHEXYL}ACETAMIDECyclohexaneacetamide, N-[2-(4-phenyl-2-thiazolyl)ethyl]-1-(1H-tetrazol-1-ylmethyl)-
Database identifiers
- CAS
1401573-35-0
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 15.6 · 15.60±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…