1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | 5788-2135 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4,6-trimethylbenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8347 |
| logD: | 3.7395 |
| logSw: | -3.8238 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.605 |
| InChI Key: | RPUPYMIJJYECEX-UHFFFAOYSA-N |