{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}(4-ethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}(4-ethoxyphenyl)methanone
{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}(4-ethoxyphenyl)methanone
Compound characteristics
| Compound ID: | F897-0997 |
| Compound Name: | {4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}(4-ethoxyphenyl)methanone |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)C(N1CCN(CC1)S(c1c(C)nn(C(C)C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7756 |
| logD: | 1.7756 |
| logSw: | -2.5266 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.551 |
| InChI Key: | MMFHJBRXCLSSQJ-UHFFFAOYSA-N |