1-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
1-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | F828-0847 |
| Compound Name: | 1-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 367.9 |
| Molecular Formula: | C17 H22 Cl N3 O2 S |
| Smiles: | Cc1c(c(C)n(c2ccc(cc2)[Cl])n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3317 |
| logD: | 3.3317 |
| logSw: | -3.7243 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.698 |
| InChI Key: | PXBSBHHWWHMKST-UHFFFAOYSA-N |