3-{2-[4-(4-ethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
Chemical Structure Depiction of
3-{2-[4-(4-ethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
3-{2-[4-(4-ethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
Compound characteristics
| Compound ID: | M513-1810 |
| Compound Name: | 3-{2-[4-(4-ethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CCc1ccc(cc1)S(N1CCN(CCc2cn(C)c3c2cccn3)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0029 |
| logD: | 2.96 |
| logSw: | -3.1533 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.934 |
| InChI Key: | LPAUMGSVNKIAJN-UHFFFAOYSA-N |