N-benzyl-1-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | S724-1222 |
| Compound Name: | N-benzyl-1-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C18 H21 N7 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CC(C1)n1cc(C(NCc2ccccc2)=O)nn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2247 |
| logD: | 0.2247 |
| logSw: | -2.2332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.069 |
| InChI Key: | JGYDNLORJIFVHJ-UHFFFAOYSA-N |