{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[6-(3,4-dimethylbenzene-1-sulfonyl)pyridin-3-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[6-(3,4-dimethylbenzene-1-sulfonyl)pyridin-3-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[6-(3,4-dimethylbenzene-1-sulfonyl)pyridin-3-yl]methanone
Compound characteristics
| Compound ID: | F800-0436 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[6-(3,4-dimethylbenzene-1-sulfonyl)pyridin-3-yl]methanone |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)S(c1ccc(cn1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4283 |
| logD: | 3.2367 |
| logSw: | -3.5564 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.956 |
| InChI Key: | QYMHEBVURPWWTK-UHFFFAOYSA-N |