2-(3,4-dimethoxyphenyl)-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-dimethoxyphenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
2-(3,4-dimethoxyphenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | F897-0967 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C22 H32 N4 O5 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(Cc1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3045 |
| logD: | 1.3045 |
| logSw: | -2.4016 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.161 |
| InChI Key: | RLVGKPWJAOOCSB-UHFFFAOYSA-N |