3-(3,4-dimethoxyphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one
3-(3,4-dimethoxyphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one
Compound characteristics
| Compound ID: | F897-0651 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]prop-2-en-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCN(CC1)C(/C=C/c1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.677 |
| logD: | 0.677 |
| logSw: | -2.2662 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.978 |
| InChI Key: | KUHLTZUFPXKJTP-UHFFFAOYSA-N |