1-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]azepane
1-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | F828-2011 |
| Compound Name: | 1-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 347.48 |
| Molecular Formula: | C18 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(C)c(c(C)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1604 |
| logD: | 3.1604 |
| logSw: | -3.2897 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.698 |
| InChI Key: | FACOLDRBXJNXJZ-UHFFFAOYSA-N |