3-(azepane-1-sulfonyl)-1-methyl-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-1-methyl-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-1-methyl-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8122 |
| Compound Name: | 3-(azepane-1-sulfonyl)-1-methyl-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C18 H21 F3 N4 O4 S |
| Smiles: | Cn1cc(C(Nc2cccc(c2)OC(F)(F)F)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3267 |
| logD: | 3.3206 |
| logSw: | -3.7534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.439 |
| InChI Key: | BMYVUJFGJBBFHU-UHFFFAOYSA-N |