2-(3,4-diethoxyphenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-diethoxyphenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
2-(3,4-diethoxyphenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | F897-1064 |
| Compound Name: | 2-(3,4-diethoxyphenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C24 H36 N4 O5 S |
| Smiles: | CCOc1ccc(CC(N2CCN(CC2)S(c2c(C)nn(C(C)C)c2C)(=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.7958 |
| logD: | 1.7958 |
| logSw: | -2.5733 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.32 |
| InChI Key: | PPBMPAMOAKQQLU-UHFFFAOYSA-N |